3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide

C30H32N8O2 — CID 146437272

IUPAC3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C
InChIInChI=1S/C30H32N8O2/c1-16(2)38-17(3)22(15-32-38)25-34-24-21(10-13-31-26(24)35-25)19-8-9-20-18(14-19)6-5-7-23(20)33-27(39)28-36-29(37-40-28)30(4)11-12-30/h8-10,13-16,23H,5-7,11-12H2,1-4H3,(H,33,39)(H,31,34,35)/t23-/m0/s1
InChIKeyOYTKXRQCJAOMPT-QHCPKHFHSA-N
MW536.64 g/mol
LogP5.62
Rot. Bonds6

About 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide

3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 146437272) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID146437272
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C
InChIInChI=1S/C30H32N8O2/c1-16(2)38-17(3)22(15-32-38)25-34-24-21(10-13-31-26(24)35-25)19-8-9-20-18(14-19)6-5-7-23(20)33-27(39)28-36-29(37-40-28)30(4)11-12-30/h8-10,13-16,23H,5-7,11-12H2,1-4H3,(H,33,39)(H,31,34,35)/t23-/m0/s1
InChIKeyOYTKXRQCJAOMPT-QHCPKHFHSA-N
XLogP5.62
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (CID 146437272) is 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C.
What is the InChIKey of 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OYTKXRQCJAOMPT-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-16(2)38-17(3)22(15-32-38)25-34-24-21(10-13-31-26(24)35-25)19-8-9-20-18(14-19)6-5-7-23(20)33-27(39)28-36-29(37-40-28)30(4)11-12-30/h8-10,13-16,23H,5-7,11-12H2,1-4H3,(H,33,39)(H,31,34,35)/t23-/m0/s1.
What are the key properties of 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 536.64 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 146437272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).