N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C34H33ClN8O3 — CID 155690866

IUPACN-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1cncc1-c1ccc(NC(=O)C(Cc2cc(-c3ccnc(N4CC5(COC5)C4)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C34H33ClN8O3/c1-41-21-36-16-30(41)22-3-6-26(7-4-22)39-32(44)28(40-33(45)29-10-12-38-42(29)2)14-25-13-23(5-8-27(25)35)24-9-11-37-31(15-24)43-17-34(18-43)19-46-20-34/h3-13,15-16,21,28H,14,17-20H2,1-2H3,(H,39,44)(H,40,45)
InChIKeyRJGWKRTXWFGFSK-UHFFFAOYSA-N
MW637.14 g/mol
LogP4.35
Rot. Bonds9

About N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 155690866) has the molecular formula C34H33ClN8O3 and a molecular weight of 637.14 g/mol. Its IUPAC name is N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID155690866
Molecular FormulaC34H33ClN8O3
Molecular Weight637.14 g/mol
Exact Mass636.24
IUPAC NameN-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1cncc1-c1ccc(NC(=O)C(Cc2cc(-c3ccnc(N4CC5(COC5)C4)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C34H33ClN8O3/c1-41-21-36-16-30(41)22-3-6-26(7-4-22)39-32(44)28(40-33(45)29-10-12-38-42(29)2)14-25-13-23(5-8-27(25)35)24-9-11-37-31(15-24)43-17-34(18-43)19-46-20-34/h3-13,15-16,21,28H,14,17-20H2,1-2H3,(H,39,44)(H,40,45)
InChIKeyRJGWKRTXWFGFSK-UHFFFAOYSA-N
XLogP4.35
TPSA119.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.14
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-[2-chloro-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155690900
N-[3-[2-chloro-5-[2-[3-(methylamino)azetidin-1-yl]-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101302
N-[(2S)-3-[2-chloro-5-[2-[(3R)-3-methylpiperazin-1-yl]-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101367
N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155690949
N-[3-[2-chloro-5-[3-[(3S)-4-methylmorpholin-3-yl]phenyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101243
N-[(2S)-3-(2-chloro-5-hydroxyphenyl)-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;[4-chloro-3-[(2S)-3-[4-(3-methylimidazol-4-yl)anilino]-2-[(2-methylpyrazole-3-carbonyl)amino]-3-oxopropyl]phenyl] trifluoromethanesulfonate
CID 165102607
N-[3-[2-chloro-5-(2-methyl-4-pyridinyl)phenyl]-1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101599
N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(2-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101619
N-[3-[2-chloro-5-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101716
N-[3-[5-[3-(2-aminopropan-2-yl)phenyl]-2-chlorophenyl]-1-[4-(3,5-dimethylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101748
N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155101968
N-[(2S)-3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[3-hydroxy-4-(5-methyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 155690930

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 155690866) is N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1cncc1-c1ccc(NC(=O)C(Cc2cc(-c3ccnc(N4CC5(COC5)C4)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RJGWKRTXWFGFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN8O3/c1-41-21-36-16-30(41)22-3-6-26(7-4-22)39-32(44)28(40-33(45)29-10-12-38-42(29)2)14-25-13-23(5-8-27(25)35)24-9-11-37-31(15-24)43-17-34(18-43)19-46-20-34/h3-13,15-16,21,28H,14,17-20H2,1-2H3,(H,39,44)(H,40,45).
What are the key properties of N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 637.14 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-5-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-pyridinyl]phenyl]-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 155690866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).