1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

C26H29FN4O2 — CID 67846101

About 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide (PubChem CID 67846101) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
• PubChem CID: 67846101
• Molecular Formula: C26H29FN4O2
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.23
• IUPAC Name: 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
• SMILES: O=C(NC1CC2COCC(C1)N2Cc1cccc(F)c1)c1nn(CC2CC2)c2ccccc12
• InChI: InChI=1S/C26H29FN4O2/c27-19-5-3-4-18(10-19)13-30-21-11-20(12-22(30)16-33-15-21)28-26(32)25-23-6-1-2-7-24(23)31(29-25)14-17-8-9-17/h1-7,10,17,20-22H,8-9,11-16H2,(H,28,32)
• InChIKey: SKMMTYFNJLGQFK-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?

The IUPAC name of 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide (CID 67846101) is 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide.

What is the SMILES notation for 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?

The canonical SMILES for 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide is O=C(NC1CC2COCC(C1)N2Cc1cccc(F)c1)c1nn(CC2CC2)c2ccccc12.

What is the InChIKey of 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?

The InChIKey is SKMMTYFNJLGQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c27-19-5-3-4-18(10-19)13-30-21-11-20(12-22(30)16-33-15-21)28-26(32)25-23-6-1-2-7-24(23)31(29-25)14-17-8-9-17/h1-7,10,17,20-22H,8-9,11-16H2,(H,28,32).

What are the key properties of 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?

1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide is sourced from PubChem (CID 67846101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).