N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide

C38H34FN7O4S — CID 137384443

About N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide

N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide (PubChem CID 137384443) has the molecular formula C38H34FN7O4S and a molecular weight of 703.80 g/mol. Its IUPAC name is N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide
• PubChem CID: 137384443
• Molecular Formula: C38H34FN7O4S
• Molecular Weight: 703.80 g/mol
• Exact Mass: 703.24
• IUPAC Name: N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide
• SMILES: Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3CCc4cc(NC(=O)c5ncccc5F)sc4-c4ncccc43)cc2)c1
• InChI: InChI=1S/C38H34FN7O4S/c1-23-18-27(34(42-20-23)45-21-38(22-45)11-16-50-17-12-38)35(47)43-26-8-6-24(7-9-26)37(49)46-15-10-25-19-30(44-36(48)31-28(39)4-2-13-40-31)51-33(25)32-29(46)5-3-14-41-32/h2-9,13-14,18-20H,10-12,15-17,21-22H2,1H3,(H,43,47)(H,44,48)
• InChIKey: BHVONIULLCLETA-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 129.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.80
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide?

The IUPAC name of N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide (CID 137384443) is N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide is Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3CCc4cc(NC(=O)c5ncccc5F)sc4-c4ncccc43)cc2)c1.

What is the InChIKey of N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide?

The InChIKey is BHVONIULLCLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34FN7O4S/c1-23-18-27(34(42-20-23)45-21-38(22-45)11-16-50-17-12-38)35(47)43-26-8-6-24(7-9-26)37(49)46-15-10-25-19-30(44-36(48)31-28(39)4-2-13-40-31)51-33(25)32-29(46)5-3-14-41-32/h2-9,13-14,18-20H,10-12,15-17,21-22H2,1H3,(H,43,47)(H,44,48).

What are the key properties of N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide?

N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide has a molecular weight of 703.80 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(3-fluoropyridine-2-carbonyl)amino]-3-thia-9,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl]phenyl]-5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 137384443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).