tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine

C32H38FN7O4 — CID 175952882

About tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine

tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine (PubChem CID 175952882) has the molecular formula C32H38FN7O4 and a molecular weight of 603.70 g/mol. Its IUPAC name is tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine
• PubChem CID: 175952882
• Molecular Formula: C32H38FN7O4
• Molecular Weight: 603.70 g/mol
• Exact Mass: 603.30
• IUPAC Name: tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine
• SMILES: CC(C)(C)OC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)OC(C)(C)C)CC3)ccn1.Nc1ccccn1
• InChI: InChI=1S/C27H32FN5O4.C5H6N2/c1-26(2,3)36-24(34)30-21-15-18(11-12-29-21)22-20-16-32(25(35)37-27(4,5)6)13-14-33(20)31-23(22)17-7-9-19(28)10-8-17;6-5-3-1-2-4-7-5/h7-12,15H,13-14,16H2,1-6H3,(H,29,30,34);1-4H,(H2,6,7)
• InChIKey: XHYDTEMWHJJPPM-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 137.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.70
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine?

The IUPAC name of tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine (CID 175952882) is tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine.

What is the SMILES notation for tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine?

The canonical SMILES for tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine is CC(C)(C)OC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)OC(C)(C)C)CC3)ccn1.Nc1ccccn1.

What is the InChIKey of tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine?

The InChIKey is XHYDTEMWHJJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O4.C5H6N2/c1-26(2,3)36-24(34)30-21-15-18(11-12-29-21)22-20-16-32(25(35)37-27(4,5)6)13-14-33(20)31-23(22)17-7-9-19(28)10-8-17;6-5-3-1-2-4-7-5/h7-12,15H,13-14,16H2,1-6H3,(H,29,30,34);1-4H,(H2,6,7).

What are the key properties of tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine?

tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine has a molecular weight of 603.70 g/mol, XLogP of 6.51, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;pyridin-2-amine is sourced from PubChem (CID 175952882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).