N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

C27H41N5O3 — CID 67337795

IUPACN-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCOC[C@@H]1CCCN1CC(O)CN1C2CCC1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2
InChIInChI=1S/C27H41N5O3/c1-18(2)32-25-9-5-4-8-24(25)26(29-32)27(34)28-19-13-20-10-11-21(14-19)31(20)16-23(33)15-30-12-6-7-22(30)17-35-3/h4-5,8-9,18-23,33H,6-7,10-17H2,1-3H3,(H,28,34)/t19?,20?,21?,22-,23?/m0/s1
InChIKeyVLXHPHYAICJTQV-FKYPEVOHSA-N
MW483.66 g/mol
LogP2.81
Rot. Bonds9

About N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 67337795) has the molecular formula C27H41N5O3 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID67337795
Molecular FormulaC27H41N5O3
Molecular Weight483.66 g/mol
Exact Mass483.32
IUPAC NameN-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCOC[C@@H]1CCCN1CC(O)CN1C2CCC1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2
InChIInChI=1S/C27H41N5O3/c1-18(2)32-25-9-5-4-8-24(25)26(29-32)27(34)28-19-13-20-10-11-21(14-19)31(20)16-23(33)15-30-12-6-7-22(30)17-35-3/h4-5,8-9,18-23,33H,6-7,10-17H2,1-3H3,(H,28,34)/t19?,20?,21?,22-,23?/m0/s1
InChIKeyVLXHPHYAICJTQV-FKYPEVOHSA-N
XLogP2.81
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 67337795) is N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is COC[C@@H]1CCCN1CC(O)CN1C2CCC1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2.
What is the InChIKey of N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is VLXHPHYAICJTQV-FKYPEVOHSA-N. The full InChI is InChI=1S/C27H41N5O3/c1-18(2)32-25-9-5-4-8-24(25)26(29-32)27(34)28-19-13-20-10-11-21(14-19)31(20)16-23(33)15-30-12-6-7-22(30)17-35-3/h4-5,8-9,18-23,33H,6-7,10-17H2,1-3H3,(H,28,34)/t19?,20?,21?,22-,23?/m0/s1.
What are the key properties of N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 483.66 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 67337795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).