3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide

C28H33N7O2 — CID 172731006

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1
InChIInChI=1S/C28H33N7O2/c1-28(2,3)37-20-15-35(16-20)27(36)31-23-7-5-6-17-12-18(8-9-21(17)23)22-10-11-29-26-24(22)32-25(33-26)19-13-30-34(4)14-19/h8-14,20,23H,5-7,15-16H2,1-4H3,(H,31,36)(H,29,32,33)/t23-/m0/s1
InChIKeyHUEKRMDISPHXNW-QHCPKHFHSA-N
MW499.62 g/mol
LogP4.61
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide

3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide (PubChem CID 172731006) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
PubChem CID172731006
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1
InChIInChI=1S/C28H33N7O2/c1-28(2,3)37-20-15-35(16-20)27(36)31-23-7-5-6-17-12-18(8-9-21(17)23)22-10-11-29-26-24(22)32-25(33-26)19-13-30-34(4)14-19/h8-14,20,23H,5-7,15-16H2,1-4H3,(H,31,36)(H,29,32,33)/t23-/m0/s1
InChIKeyHUEKRMDISPHXNW-QHCPKHFHSA-N
XLogP4.61
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biib-068
CID 118139356
N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139372
3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-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 146437256
3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-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 146437264
3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437414
(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
CID 155925935
US11098041, Example 55
CID 121249709
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
CID 146437122
3-tert-butyl-N-[(1S)-6-[2-(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 146437173
3-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437177
4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(N-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine
CID 24815965
1-[4-[1-ethyl-4-[2-[(2-hydroxyethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46237140

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide (CID 172731006) is 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cn1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?
The InChIKey is HUEKRMDISPHXNW-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-28(2,3)37-20-15-35(16-20)27(36)31-23-7-5-6-17-12-18(8-9-21(17)23)22-10-11-29-26-24(22)32-25(33-26)19-13-30-34(4)14-19/h8-14,20,23H,5-7,15-16H2,1-4H3,(H,31,36)(H,29,32,33)/t23-/m0/s1.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?
3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 172731006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).