5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide

C30H32N8O2 — CID 146437074

IUPAC5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C4(C)CC4)n3)c2[nH]1
InChIInChI=1S/C30H32N8O2/c1-16-23(17(2)38(4)36-16)25-33-24-21(11-14-31-26(24)34-25)19-9-10-20-18(15-19)7-5-6-8-22(20)32-28(39)27-35-29(40-37-27)30(3)12-13-30/h9-11,14-15,22H,5-8,12-13H2,1-4H3,(H,32,39)(H,31,33,34)
InChIKeyRXLBMXFAACRUDI-UHFFFAOYSA-N
MW536.64 g/mol
LogP5.27
Rot. Bonds5

About 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide

5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146437074) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide
PubChem CID146437074
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C4(C)CC4)n3)c2[nH]1
InChIInChI=1S/C30H32N8O2/c1-16-23(17(2)38(4)36-16)25-33-24-21(11-14-31-26(24)34-25)19-9-10-20-18(15-19)7-5-6-8-22(20)32-28(39)27-35-29(40-37-27)30(3)12-13-30/h9-11,14-15,22H,5-8,12-13H2,1-4H3,(H,32,39)(H,31,33,34)
InChIKeyRXLBMXFAACRUDI-UHFFFAOYSA-N
XLogP5.27
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide (CID 146437074) is 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide is Cc1nn(C)c(C)c1-c1nc2nccc(-c3ccc4c(c3)CCCCC4NC(=O)c3noc(C4(C)CC4)n3)c2[nH]1.
What is the InChIKey of 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RXLBMXFAACRUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-16-23(17(2)38(4)36-16)25-33-24-21(11-14-31-26(24)34-25)19-9-10-20-18(15-19)7-5-6-8-22(20)32-28(39)27-35-29(40-37-27)30(3)12-13-30/h9-11,14-15,22H,5-8,12-13H2,1-4H3,(H,32,39)(H,31,33,34).
What are the key properties of 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide?
5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 536.64 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-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]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146437074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).