N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine

C28H38N6O — CID 166058375

IUPACN-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
SMILESCOc1nccc(C)c1N1CCC(NC(C)c2cn(C)nc2NCc2ccccc2C2CC2)CC1
InChIInChI=1S/C28H38N6O/c1-19-11-14-29-28(35-4)26(19)34-15-12-23(13-16-34)31-20(2)25-18-33(3)32-27(25)30-17-22-7-5-6-8-24(22)21-9-10-21/h5-8,11,14,18,20-21,23,31H,9-10,12-13,15-17H2,1-4H3,(H,30,32)
InChIKeyLFILBOMOMTZNHI-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.94
Rot. Bonds9

About N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine

N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine (PubChem CID 166058375) has the molecular formula C28H38N6O and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
PubChem CID166058375
Molecular FormulaC28H38N6O
Molecular Weight474.65 g/mol
Exact Mass474.31
IUPAC NameN-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
SMILESCOc1nccc(C)c1N1CCC(NC(C)c2cn(C)nc2NCc2ccccc2C2CC2)CC1
InChIInChI=1S/C28H38N6O/c1-19-11-14-29-28(35-4)26(19)34-15-12-23(13-16-34)31-20(2)25-18-33(3)32-27(25)30-17-22-7-5-6-8-24(22)21-9-10-21/h5-8,11,14,18,20-21,23,31H,9-10,12-13,15-17H2,1-4H3,(H,30,32)
InChIKeyLFILBOMOMTZNHI-UHFFFAOYSA-N
XLogP4.94
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine with MolForge

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Related Compounds

N-[(3-amino-1-methylpyrazol-4-yl)methyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine
CID 166058194
1-[4-(difluoromethyl)-2-methoxy-3-pyridinyl]-N-[1-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazol-4-yl]ethyl]piperidin-4-amine
CID 166058338
1-[2-(difluoromethyl)-6-fluorophenyl]-N-[1-[1-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazol-4-yl]ethyl]piperidin-4-amine
CID 166058257
1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one
CID 166058229
7-[(2-cyclopropylphenyl)methyl]-5-[1-[2-methoxy-4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2,4-dimethyl-4H-pyrazolo[3,4-d]pyrimidin-6-one
CID 166058275
N-[(2-cyclopropylphenyl)methyl]-1,4,5-trimethyl-2,3-dihydropyrido[4,3-b]azepin-6-amine
CID 90972999
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-ethylpiperidin-4-amine
CID 65197175
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
1-(2-chloro-6-fluorophenyl)-N-[1-[1-(oxan-2-yl)-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazol-4-yl]ethyl]piperidin-4-amine
CID 166058378
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
The IUPAC name of N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine (CID 166058375) is N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine is COc1nccc(C)c1N1CCC(NC(C)c2cn(C)nc2NCc2ccccc2C2CC2)CC1.
What is the InChIKey of N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
The InChIKey is LFILBOMOMTZNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O/c1-19-11-14-29-28(35-4)26(19)34-15-12-23(13-16-34)31-20(2)25-18-33(3)32-27(25)30-17-22-7-5-6-8-24(22)21-9-10-21/h5-8,11,14,18,20-21,23,31H,9-10,12-13,15-17H2,1-4H3,(H,30,32).
What are the key properties of N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine?
N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine has a molecular weight of 474.65 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrazol-4-yl]ethyl]-1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 166058375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).