cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine

C25H41N5O — CID 158629251

IUPACcyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine
SMILESC.C.CCn1ncc2c(C)c(C(C)=O)cnc21.NC1CCCC1.NCc1ccccc1
InChIInChI=1S/C11H13N3O.C7H9N.C5H11N.2CH4/c1-4-14-11-10(6-13-14)7(2)9(5-12-11)8(3)15;8-6-7-4-2-1-3-5-7;6-5-3-1-2-4-5;;/h5-6H,4H2,1-3H3;1-5H,6,8H2;5H,1-4,6H2;2*1H4
InChIKeyHYZHETFVYGCGOL-UHFFFAOYSA-N
MW427.64 g/mol
LogP5.27
Rot. Bonds3

About cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine

cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine (PubChem CID 158629251) has the molecular formula C25H41N5O and a molecular weight of 427.64 g/mol. Its IUPAC name is cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine.

Molecular Properties

Compound Namecyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine
PubChem CID158629251
Molecular FormulaC25H41N5O
Molecular Weight427.64 g/mol
Exact Mass427.33
IUPAC Namecyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine
SMILESC.C.CCn1ncc2c(C)c(C(C)=O)cnc21.NC1CCCC1.NCc1ccccc1
InChIInChI=1S/C11H13N3O.C7H9N.C5H11N.2CH4/c1-4-14-11-10(6-13-14)7(2)9(5-12-11)8(3)15;8-6-7-4-2-1-3-5-7;6-5-3-1-2-4-5;;/h5-6H,4H2,1-3H3;1-5H,6,8H2;5H,1-4,6H2;2*1H4
InChIKeyHYZHETFVYGCGOL-UHFFFAOYSA-N
XLogP5.27
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.64
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
4-chloro-N-[(2,4-dimethylphenyl)methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883841
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237928
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
4-Amino-1-(3-pentyn-1-yl)-N-2-propen-1-yl-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 128415
4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10017063
4-amino-1-pent-4-ynyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10085234
N-(cyclohexylmethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 10475192

Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine?
The IUPAC name of cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine (CID 158629251) is cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine.
What is the SMILES notation for cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine?
The canonical SMILES for cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine is C.C.CCn1ncc2c(C)c(C(C)=O)cnc21.NC1CCCC1.NCc1ccccc1.
What is the InChIKey of cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine?
The InChIKey is HYZHETFVYGCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C7H9N.C5H11N.2CH4/c1-4-14-11-10(6-13-14)7(2)9(5-12-11)8(3)15;8-6-7-4-2-1-3-5-7;6-5-3-1-2-4-5;;/h5-6H,4H2,1-3H3;1-5H,6,8H2;5H,1-4,6H2;2*1H4.
What are the key properties of cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine?
cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine has a molecular weight of 427.64 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine is sourced from PubChem (CID 158629251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).