N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide

C32H35N5O3 — CID 118735400

About N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide

N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide (PubChem CID 118735400) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide
• PubChem CID: 118735400
• Molecular Formula: C32H35N5O3
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.27
• IUPAC Name: N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide
• SMILES: O=C(N[C@@H](c1ccccn1)C1CCCC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5COC[C@H]4CC(O)C5)cc3)c2c1
• InChI: InChI=1S/C32H35N5O3/c38-26-16-24-18-40-19-25(17-26)37(24)23-11-8-21(9-12-23)30-27-15-22(10-13-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-14-33-29/h3-4,7-15,20,24-26,31,38H,1-2,5-6,16-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/m1/s1
• InChIKey: TWPZRFZCHZSVKG-XQOXSZQVSA-N
• XLogP: 5.01
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide?

The IUPAC name of N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide (CID 118735400) is N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide.

What is the SMILES notation for N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide?

The canonical SMILES for N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide is O=C(N[C@@H](c1ccccn1)C1CCCC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5COC[C@H]4CC(O)C5)cc3)c2c1.

What is the InChIKey of N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide?

The InChIKey is TWPZRFZCHZSVKG-XQOXSZQVSA-N. The full InChI is InChI=1S/C32H35N5O3/c38-26-16-24-18-40-19-25(17-26)37(24)23-11-8-21(9-12-23)30-27-15-22(10-13-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-14-33-29/h3-4,7-15,20,24-26,31,38H,1-2,5-6,16-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/m1/s1.

What are the key properties of N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide?

N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 537.66 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1R,5R)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 118735400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).