3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine

C₆₃H₈₂ClN₂₃O₂Sn — CID 158527246

About 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine

3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine (PubChem CID 158527246) has the molecular formula C₆₃H₈₂ClN₂₃O₂Sn and a molecular weight of 1347.67 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
• PubChem CID: 158527246
• Molecular Formula: C₆₃H₈₂ClN₂₃O₂Sn
• Molecular Weight: 1347.67 g/mol
• Exact Mass: 1347.57
• IUPAC Name: 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
• SMILES: CC(C)Nc1nccc2c1C(c1cc(N3CCOCC3)ncn1)=NC2.CC(C)Nc1nccc2c1c(-c1cc(Cl)ncn1)nn2C.CC(C)Nc1nccc2c1c(-c1cc(N3CCOCC3)ncn1)nn2C.CC(C)Nc1nccc2c1c([Sn](C)(C)C)nn2C
• InChI: InChI=1S/C18H23N7O.C18H22N6O.C14H15ClN6.C10H13N4.3CH3.Sn/c1-12(2)22-18-16-14(4-5-19-18)24(3)23-17(16)13-10-15(21-11-20-13)25-6-8-26-9-7-25;1-12(2)23-18-16-13(3-4-19-18)10-20-17(16)14-9-15(22-11-21-14)24-5-7-25-8-6-24;1-8(2)19-14-12-10(4-5-16-14)21(3)20-13(12)9-6-11(15)18-7-17-9;1-7(2)13-10-8-6-12-14(3)9(8)4-5-11-10;;;;/h4-5,10-12H,6-9H2,1-3H3,(H,19,22);3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,23);4-8H,1-3H3,(H,16,19);4-5,7H,1-3H3,(H,11,13);3*1H3
• InChIKey: HMXXBEXNCBWIJM-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 267.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.67
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

The IUPAC name of 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine (CID 158527246) is 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine.

What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine is CC(C)Nc1nccc2c1C(c1cc(N3CCOCC3)ncn1)=NC2.CC(C)Nc1nccc2c1c(-c1cc(Cl)ncn1)nn2C.CC(C)Nc1nccc2c1c(-c1cc(N3CCOCC3)ncn1)nn2C.CC(C)Nc1nccc2c1c([Sn](C)(C)C)nn2C.

What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

The InChIKey is HMXXBEXNCBWIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O.C18H22N6O.C14H15ClN6.C10H13N4.3CH3.Sn/c1-12(2)22-18-16-14(4-5-19-18)24(3)23-17(16)13-10-15(21-11-20-13)25-6-8-26-9-7-25;1-12(2)23-18-16-13(3-4-19-18)10-20-17(16)14-9-15(22-11-21-14)24-5-7-25-8-6-24;1-8(2)19-14-12-10(4-5-16-14)21(3)20-13(12)9-6-11(15)18-7-17-9;1-7(2)13-10-8-6-12-14(3)9(8)4-5-11-10;;;;/h4-5,10-12H,6-9H2,1-3H3,(H,19,22);3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,23);4-8H,1-3H3,(H,16,19);4-5,7H,1-3H3,(H,11,13);3*1H3;.

What are the key properties of 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine has a molecular weight of 1347.67 g/mol, XLogP of 9.19, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloropyrimidin-4-yl)-1-methyl-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine;1-methyl-N-propan-2-yl-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;3-(6-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 158527246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158527246 — identifiers, structure, computed properties (public domain)

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