6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide

C27H30N6O3 — CID 170965831

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide (PubChem CID 170965831) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
• PubChem CID: 170965831
• Molecular Formula: C27H30N6O3
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.24
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(N)=O)cccc1-c1cnn([C@H]2CCCC23CC3)c1
• InChI: InChI=1S/C27H30N6O3/c1-36-24-18(17-13-30-33(15-17)22-6-3-9-27(22)10-11-27)4-2-5-20(24)31-21-12-23(29-14-19(21)25(28)34)32-26(35)16-7-8-16/h2,4-5,12-16,22H,3,6-11H2,1H3,(H2,28,34)(H2,29,31,32,35)/t22-/m0/s1
• InChIKey: WKTXKFLQBRCQSO-QFIPXVFZSA-N
• XLogP: 4.65
• TPSA: 124.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide (CID 170965831) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(N)=O)cccc1-c1cnn([C@H]2CCCC23CC3)c1.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide?

The InChIKey is WKTXKFLQBRCQSO-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-36-24-18(17-13-30-33(15-17)22-6-3-9-27(22)10-11-27)4-2-5-20(24)31-21-12-23(29-14-19(21)25(28)34)32-26(35)16-7-8-16/h2,4-5,12-16,22H,3,6-11H2,1H3,(H2,28,34)(H2,29,31,32,35)/t22-/m0/s1.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 170965831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).