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

C31H30N8O2 — CID 163736207

IUPAC3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)C=CC=C[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C
InChIInChI=1S/C31H30N8O2/c1-17(2)39-18(3)23(16-33-39)26-35-25-22(11-14-32-27(25)36-26)20-9-10-21-19(15-20)7-5-6-8-24(21)34-28(40)29-37-30(38-41-29)31(4)12-13-31/h5-11,14-17,24H,12-13H2,1-4H3,(H,34,40)(H,32,35,36)/t24-/m0/s1
InChIKeyLDUVSRLTAKBTEZ-DEOSSOPVSA-N
MW546.64 g/mol
LogP5.87
Rot. Bonds6

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

3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 163736207) has the molecular formula C31H30N8O2 and a molecular weight of 546.64 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID163736207
Molecular FormulaC31H30N8O2
Molecular Weight546.64 g/mol
Exact Mass546.25
IUPAC Name3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)C=CC=C[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C
InChIInChI=1S/C31H30N8O2/c1-17(2)39-18(3)23(16-33-39)26-35-25-22(11-14-32-27(25)36-26)20-9-10-21-19(15-20)7-5-6-8-24(21)34-28(40)29-37-30(38-41-29)31(4)12-13-31/h5-11,14-17,24H,12-13H2,1-4H3,(H,34,40)(H,32,35,36)/t24-/m0/s1
InChIKeyLDUVSRLTAKBTEZ-DEOSSOPVSA-N
XLogP5.87
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-(1-methylcyclopropyl)-N-[6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437247
5-tert-butyl-N-[(5R)-8-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 166047936
3-[(2-methylpropan-2-yl)oxy]-N-[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]azetidine-1-carboxamide
CID 146437182
(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 172828676
methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide
CID 167560414
tert-butyl N-[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate
CID 146437141
5-tert-butyl-N-[(5S)-2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 146437214
3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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-tert-butyl-N-[(1S)-6-[2-(3,5-dimethyl-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;5-tert-butyl-N-[2-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2-oxazole-3-carboxamide;5-tert-butyl-N-[(5R)-2-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2-oxazole-3-carboxamide;5-tert-butyl-N-[(5S)-2-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2-oxazole-3-carboxamide;5-tert-butyl-N-[2-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2-oxazole-3-carboxamide
CID 167694820
3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437157
(methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate
CID 146437263
3-tert-butyl-N-[2-[2-(2-ethyl-3-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 166047921
5-tert-butyl-N-[(5S)-8-[2-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 146437395

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (CID 163736207) is 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1c(-c2nc3nccc(-c4ccc5c(c4)C=CC=C[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C.
What is the InChIKey of 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LDUVSRLTAKBTEZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H30N8O2/c1-17(2)39-18(3)23(16-33-39)26-35-25-22(11-14-32-27(25)36-26)20-9-10-21-19(15-20)7-5-6-8-24(21)34-28(40)29-37-30(38-41-29)31(4)12-13-31/h5-11,14-17,24H,12-13H2,1-4H3,(H,34,40)(H,32,35,36)/t24-/m0/s1.
What are the key properties of 3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
3-(1-methylcyclopropyl)-N-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 546.64 g/mol, XLogP of 5.87, 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-[(5S)-2-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 163736207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).