N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C25H34N6O3 — CID 168764463

IUPACN-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C(C1CCC1)C1(C)CC1
InChIInChI=1S/C25H34N6O3/c1-25(9-10-25)21(17-4-3-5-17)22(29-23(32)19-8-11-27-30(19)2)24(33)28-20-7-6-18(16-26-20)31-12-14-34-15-13-31/h6-8,11,16-17,21-22H,3-5,9-10,12-15H2,1-2H3,(H,29,32)(H,26,28,33)/t21?,22-/m0/s1
InChIKeyJEQZNVLGRWAOHL-KEKNWZKVSA-N
MW466.59 g/mol
LogP2.61
Rot. Bonds8

About N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 168764463) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID168764463
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC NameN-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C(C1CCC1)C1(C)CC1
InChIInChI=1S/C25H34N6O3/c1-25(9-10-25)21(17-4-3-5-17)22(29-23(32)19-8-11-27-30(19)2)24(33)28-20-7-6-18(16-26-20)31-12-14-34-15-13-31/h6-8,11,16-17,21-22H,3-5,9-10,12-15H2,1-2H3,(H,29,32)(H,26,28,33)/t21?,22-/m0/s1
InChIKeyJEQZNVLGRWAOHL-KEKNWZKVSA-N
XLogP2.61
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

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
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
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
N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 142495242
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
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
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
CID 154754832
N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 168846669
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of 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) is N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCOCC2)cn1)C(C1CCC1)C1(C)CC1.
What is the InChIKey of N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JEQZNVLGRWAOHL-KEKNWZKVSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-25(9-10-25)21(17-4-3-5-17)22(29-23(32)19-8-11-27-30(19)2)24(33)28-20-7-6-18(16-26-20)31-12-14-34-15-13-31/h6-8,11,16-17,21-22H,3-5,9-10,12-15H2,1-2H3,(H,29,32)(H,26,28,33)/t21?,22-/m0/s1.
What are the key properties of N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyclobutyl-1-(1-methylcyclopropyl)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 168764463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).