N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide

C22H25N5O2 — CID 59640076

IUPACN-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide
SMILESCc1nc2nccc(-c3cc4ccc(C(=O)N[C@@H](CO)CC(C)C)cc4[nH]3)c2[nH]1
InChIInChI=1S/C22H25N5O2/c1-12(2)8-16(11-28)26-22(29)15-5-4-14-9-19(27-18(14)10-15)17-6-7-23-21-20(17)24-13(3)25-21/h4-7,9-10,12,16,27-28H,8,11H2,1-3H3,(H,26,29)(H,23,24,25)/t16-/m1/s1
InChIKeyVUWNFNIQSQBBAF-MRXNPFEDSA-N
MW391.48 g/mol
LogP3.55
Rot. Bonds6

About N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide

N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide (PubChem CID 59640076) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide
PubChem CID59640076
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide
SMILESCc1nc2nccc(-c3cc4ccc(C(=O)N[C@@H](CO)CC(C)C)cc4[nH]3)c2[nH]1
InChIInChI=1S/C22H25N5O2/c1-12(2)8-16(11-28)26-22(29)15-5-4-14-9-19(27-18(14)10-15)17-6-7-23-21-20(17)24-13(3)25-21/h4-7,9-10,12,16,27-28H,8,11H2,1-3H3,(H,26,29)(H,23,24,25)/t16-/m1/s1
InChIKeyVUWNFNIQSQBBAF-MRXNPFEDSA-N
XLogP3.55
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 454727
CID 454727
CID 44543082
CID 44543082
CID 9968957
CID 9968957
CID 24066854
CID 24066854
CID 24893974
CID 24893974
CID 10418715
CID 10418715
CID 73331037
CID 73331037
CID 44542366
CID 44542366
CID 44336300
CID 44336300
CID 137639118
CID 137639118
CID 25257451
CID 25257451
CID 9848057
CID 9848057

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide (CID 59640076) is N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide is Cc1nc2nccc(-c3cc4ccc(C(=O)N[C@@H](CO)CC(C)C)cc4[nH]3)c2[nH]1.
What is the InChIKey of N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide?
The InChIKey is VUWNFNIQSQBBAF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-12(2)8-16(11-28)26-22(29)15-5-4-14-9-19(27-18(14)10-15)17-6-7-23-21-20(17)24-13(3)25-21/h4-7,9-10,12,16,27-28H,8,11H2,1-3H3,(H,26,29)(H,23,24,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide?
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 59640076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).