1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

C26H30N4O3 — CID 67846044

IUPAC1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
SMILESCOc1ccc(CN2[C@@H]3COC[C@H]2CC(NC(=O)c2nn(C4CC4)c4ccccc24)C3)cc1
InChIInChI=1S/C26H30N4O3/c1-32-22-10-6-17(7-11-22)14-29-20-12-18(13-21(29)16-33-15-20)27-26(31)25-23-4-2-3-5-24(23)30(28-25)19-8-9-19/h2-7,10-11,18-21H,8-9,12-16H2,1H3,(H,27,31)/t18?,20-,21+
InChIKeyWHWZHJQQEDVVBX-VCSGRIEYSA-N
MW446.55 g/mol
LogP3.54
Rot. Bonds6

About 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide (PubChem CID 67846044) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
PubChem CID67846044
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
SMILESCOc1ccc(CN2[C@@H]3COC[C@H]2CC(NC(=O)c2nn(C4CC4)c4ccccc24)C3)cc1
InChIInChI=1S/C26H30N4O3/c1-32-22-10-6-17(7-11-22)14-29-20-12-18(13-21(29)16-33-15-20)27-26(31)25-23-4-2-3-5-24(23)30(28-25)19-8-9-19/h2-7,10-11,18-21H,8-9,12-16H2,1H3,(H,27,31)/t18?,20-,21+
InChIKeyWHWZHJQQEDVVBX-VCSGRIEYSA-N
XLogP3.54
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide (CID 67846044) is 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide is COc1ccc(CN2[C@@H]3COC[C@H]2CC(NC(=O)c2nn(C4CC4)c4ccccc24)C3)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
The InChIKey is WHWZHJQQEDVVBX-VCSGRIEYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-32-22-10-6-17(7-11-22)14-29-20-12-18(13-21(29)16-33-15-20)27-26(31)25-23-4-2-3-5-24(23)30(28-25)19-8-9-19/h2-7,10-11,18-21H,8-9,12-16H2,1H3,(H,27,31)/t18?,20-,21+.
What are the key properties of 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide is sourced from PubChem (CID 67846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).