N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide

C26H27N7O3 — CID 170634240

IUPACN-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide
SMILESCc1ncc(NC(=O)CN2CC3CCC3C2)cc1NC(=O)c1noc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C26H27N7O3/c1-15-22(8-20(10-27-15)29-24(34)14-33-12-17-3-4-18(17)13-33)30-26(35)25-21-6-5-16(7-23(21)36-31-25)19-9-28-32(2)11-19/h5-11,17-18H,3-4,12-14H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyBBRLMIKUVONHBN-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.46
Rot. Bonds6

About N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide

N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide (PubChem CID 170634240) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide
PubChem CID170634240
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC NameN-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide
SMILESCc1ncc(NC(=O)CN2CC3CCC3C2)cc1NC(=O)c1noc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C26H27N7O3/c1-15-22(8-20(10-27-15)29-24(34)14-33-12-17-3-4-18(17)13-33)30-26(35)25-21-6-5-16(7-23(21)36-31-25)19-9-28-32(2)11-19/h5-11,17-18H,3-4,12-14H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyBBRLMIKUVONHBN-UHFFFAOYSA-N
XLogP3.46
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide
CID 170633752
N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634759
N-[5-[[2-(6-azaspiro[2.5]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170635105
N-[5-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634363
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634973
N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634188
N-[5-[[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634325
N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634661
N-[5-[3-(2-azabicyclo[2.2.2]octan-2-yl)propanoylamino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170633806
N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634506
6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide
CID 170634162
N-[5-[[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170634301

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide (CID 170634240) is N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide is Cc1ncc(NC(=O)CN2CC3CCC3C2)cc1NC(=O)c1noc2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is BBRLMIKUVONHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-15-22(8-20(10-27-15)29-24(34)14-33-12-17-3-4-18(17)13-33)30-26(35)25-21-6-5-16(7-23(21)36-31-25)19-9-28-32(2)11-19/h5-11,17-18H,3-4,12-14H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide?
N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3-azabicyclo[3.2.0]heptan-3-yl)acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 170634240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).