1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C24H24N6O3 — CID 71009273

IUPAC1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(C3CC3)n2)c2ccccc12
InChIInChI=1S/C24H24N6O3/c25-23(32)22-15-4-1-2-6-17(15)29(28-22)12-21(31)30-18-10-14(18)11-19(30)24(33)27-20-7-3-5-16(26-20)13-8-9-13/h1-7,13-14,18-19H,8-12H2,(H2,25,32)(H,26,27,33)/t14-,18-,19+/m1/s1
InChIKeyBPHCMYUJMNRPGQ-ZMYBRWDISA-N
MW444.50 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 71009273) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID71009273
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(C3CC3)n2)c2ccccc12
InChIInChI=1S/C24H24N6O3/c25-23(32)22-15-4-1-2-6-17(15)29(28-22)12-21(31)30-18-10-14(18)11-19(30)24(33)27-20-7-3-5-16(26-20)13-8-9-13/h1-7,13-14,18-19H,8-12H2,(H2,25,32)(H,26,27,33)/t14-,18-,19+/m1/s1
InChIKeyBPHCMYUJMNRPGQ-ZMYBRWDISA-N
XLogP2.04
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 71009273) is 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(C3CC3)n2)c2ccccc12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is BPHCMYUJMNRPGQ-ZMYBRWDISA-N. The full InChI is InChI=1S/C24H24N6O3/c25-23(32)22-15-4-1-2-6-17(15)29(28-22)12-21(31)30-18-10-14(18)11-19(30)24(33)27-20-7-3-5-16(26-20)13-8-9-13/h1-7,13-14,18-19H,8-12H2,(H2,25,32)(H,26,27,33)/t14-,18-,19+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 71009273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).