tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone

C143H136I2N42O9 — CID 160830875

About tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone

tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone (PubChem CID 160830875) has the molecular formula C143H136I2N42O9 and a molecular weight of 2840.75 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone
• PubChem CID: 160830875
• Molecular Formula: C143H136I2N42O9
• Molecular Weight: 2840.75 g/mol
• Exact Mass: 2838.96
• IUPAC Name: tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone
• SMILES: CC(=O)c1ccccn1.CC(C)(C)OC(=O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1.CC(C)(C)OC(=O)Cn1cc(I)c(-c2ccccn2)n1.Ic1cn[nH]c1-c1ccccn1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1)N1CCc2n[nH]nc2C1.O=C(O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1.c1ccc(-c2ccn[nH]2)nc1
• InChI: InChI=1S/2C28H26N10O.C27H28N6O2.C23H20N6O2.C14H16IN3O2.C8H6IN3.C8H7N3.C7H7NO/c2*39-26(37-10-8-23-25(16-37)34-36-33-23)17-38-15-22(27(35-38)24-7-3-4-9-29-24)20-13-30-28(31-14-20)32-21-11-18-5-1-2-6-19(18)12-21;1-27(2,3)35-24(34)17-33-16-22(25(32-33)23-10-6-7-11-28-23)20-14-29-26(30-15-20)31-21-12-18-8-4-5-9-19(18)13-21;30-21(31)14-29-13-19(22(28-29)20-7-3-4-8-24-20)17-11-25-23(26-12-17)27-18-9-15-5-1-2-6-16(15)10-18;1-14(2,3)20-12(19)9-18-8-10(15)13(17-18)11-6-4-5-7-16-11;9-6-5-11-12-8(6)7-3-1-2-4-10-7;1-2-5-9-7(3-1)8-4-6-10-11-8;1-6(9)7-4-2-3-5-8-7/h2*1-7,9,13-15,21H,8,10-12,16-17H2,(H,30,31,32)(H,33,34,36);4-11,14-16,21H,12-13,17H2,1-3H3,(H,29,30,31);1-8,11-13,18H,9-10,14H2,(H,30,31)(H,25,26,27);4-8H,9H2,1-3H3;1-5H,(H,11,12);1-6H,(H,10,11);2-5H,1H3
• InChIKey: SGTZBBGXXVTVQK-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 631.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 30
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2840.75
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone?

The IUPAC name of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone (CID 160830875) is tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone.

What is the SMILES notation for tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone?

The canonical SMILES for tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone is CC(=O)c1ccccn1.CC(C)(C)OC(=O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1.CC(C)(C)OC(=O)Cn1cc(I)c(-c2ccccn2)n1.Ic1cn[nH]c1-c1ccccn1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1)N1CCc2n[nH]nc2C1.O=C(O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccccn2)n1.c1ccc(-c2ccn[nH]2)nc1.

What is the InChIKey of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone?

The InChIKey is SGTZBBGXXVTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H26N10O.C27H28N6O2.C23H20N6O2.C14H16IN3O2.C8H6IN3.C8H7N3.C7H7NO/c2*39-26(37-10-8-23-25(16-37)34-36-33-23)17-38-15-22(27(35-38)24-7-3-4-9-29-24)20-13-30-28(31-14-20)32-21-11-18-5-1-2-6-19(18)12-21;1-27(2,3)35-24(34)17-33-16-22(25(32-33)23-10-6-7-11-28-23)20-14-29-26(30-15-20)31-21-12-18-8-4-5-9-19(18)13-21;30-21(31)14-29-13-19(22(28-29)20-7-3-4-8-24-20)17-11-25-23(26-12-17)27-18-9-15-5-1-2-6-16(15)10-18;1-14(2,3)20-12(19)9-18-8-10(15)13(17-18)11-6-4-5-7-16-11;9-6-5-11-12-8(6)7-3-1-2-4-10-7;1-2-5-9-7(3-1)8-4-6-10-11-8;1-6(9)7-4-2-3-5-8-7/h2*1-7,9,13-15,21H,8,10-12,16-17H2,(H,30,31,32)(H,33,34,36);4-11,14-16,21H,12-13,17H2,1-3H3,(H,29,30,31);1-8,11-13,18H,9-10,14H2,(H,30,31)(H,25,26,27);4-8H,9H2,1-3H3;1-5H,(H,11,12);1-6H,(H,10,11);2-5H,1H3.

What are the key properties of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone?

tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone has a molecular weight of 2840.75 g/mol, XLogP of 20.48, 30 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-2-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]acetic acid;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-2-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);2-(4-iodo-1H-pyrazol-5-yl)pyridine;2-(1H-pyrazol-5-yl)pyridine;1-pyridin-2-ylethanone is sourced from PubChem (CID 160830875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).