N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C34H48N6O4 — CID 168764320

IUPACN-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C(=O)NCC2(C)CCC2)N2CCOCC2)cc1)C(C1CCC1)C1(C)CC1
InChIInChI=1S/C34H48N6O4/c1-33(13-5-14-33)22-35-32(43)29(40-18-20-44-21-19-40)24-8-10-25(11-9-24)37-31(42)28(38-30(41)26-12-17-36-39(26)3)27(23-6-4-7-23)34(2)15-16-34/h8-12,17,23,27-29H,4-7,13-16,18-22H2,1-3H3,(H,35,43)(H,37,42)(H,38,41)/t27?,28-,29?/m0/s1
InChIKeyBVVDLQUIXNMQAS-VJPAEBCTSA-N
MW604.80 g/mol
LogP4.05
Rot. Bonds12

About N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 168764320) has the molecular formula C34H48N6O4 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID168764320
Molecular FormulaC34H48N6O4
Molecular Weight604.80 g/mol
Exact Mass604.37
IUPAC NameN-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C(=O)NCC2(C)CCC2)N2CCOCC2)cc1)C(C1CCC1)C1(C)CC1
InChIInChI=1S/C34H48N6O4/c1-33(13-5-14-33)22-35-32(43)29(40-18-20-44-21-19-40)24-8-10-25(11-9-24)37-31(42)28(38-30(41)26-12-17-36-39(26)3)27(23-6-4-7-23)34(2)15-16-34/h8-12,17,23,27-29H,4-7,13-16,18-22H2,1-3H3,(H,35,43)(H,37,42)(H,38,41)/t27?,28-,29?/m0/s1
InChIKeyBVVDLQUIXNMQAS-VJPAEBCTSA-N
XLogP4.05
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.80
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168764463
N-[(2S)-1-(4,4-difluorocyclohexyl)-3-[3-[3-[(1-methylcyclobutyl)methylcarbamoyl]oxolan-3-yl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 163601074
methyl 3-[3-[[(2S)-3-cyclobutyl-3-(1-methylcyclopropyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoyl]amino]phenyl]-3-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 168764369
N-[(2S)-1-cyclopropyl-3-[3-[3-[(1-methylcyclobutyl)methylcarbamoyl]oxolan-3-yl]anilino]-1-(2-methyl-1,2,4-triazol-3-yl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168764338
N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168764451
N-[(2S)-3-cyclobutyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxobutan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779265
N-[(2S)-3-cyclohexyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopentan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779274
N-[1-cycloheptyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 167148835
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
N-[(1S)-2-[4-[(2R)-3-[2-(azetidin-1-yl)ethylamino]-3-oxo-2-(propanoylamino)propyl]anilino]-1-cyclohexyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 154677283
N-[1-cyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxo-1-phenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 154944185

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 168764320) is N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C(=O)NCC2(C)CCC2)N2CCOCC2)cc1)C(C1CCC1)C1(C)CC1.
What is the InChIKey of N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BVVDLQUIXNMQAS-VJPAEBCTSA-N. The full InChI is InChI=1S/C34H48N6O4/c1-33(13-5-14-33)22-35-32(43)29(40-18-20-44-21-19-40)24-8-10-25(11-9-24)37-31(42)28(38-30(41)26-12-17-36-39(26)3)27(23-6-4-7-23)34(2)15-16-34/h8-12,17,23,27-29H,4-7,13-16,18-22H2,1-3H3,(H,35,43)(H,37,42)(H,38,41)/t27?,28-,29?/m0/s1.
What are the key properties of N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 604.80 g/mol, XLogP of 4.05, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyclobutyl-3-[4-[2-[(1-methylcyclobutyl)methylamino]-1-morpholin-4-yl-2-oxoethyl]anilino]-1-(1-methylcyclopropyl)-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 168764320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).