N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine

C14H22N4 — CID 63770838

IUPACN-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine
SMILESCCC(C)n1ncc2cc(CNC(C)C)cnc21
InChIInChI=1S/C14H22N4/c1-5-11(4)18-14-13(9-17-18)6-12(8-16-14)7-15-10(2)3/h6,8-11,15H,5,7H2,1-4H3
InChIKeyXSCZWECHVLSIHD-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.90
Rot. Bonds5

About N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine

N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine (PubChem CID 63770838) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine
PubChem CID63770838
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine
SMILESCCC(C)n1ncc2cc(CNC(C)C)cnc21
InChIInChI=1S/C14H22N4/c1-5-11(4)18-14-13(9-17-18)6-12(8-16-14)7-15-10(2)3/h6,8-11,15H,5,7H2,1-4H3
InChIKeyXSCZWECHVLSIHD-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol
CID 110912907
3-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118983
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118878
N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440544
4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol
CID 111468138
1-(4-methylphenyl)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 110912905
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835539
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129475227
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 80639266
N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765554
N-(furan-3-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 55161070
1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 63772557

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine (CID 63770838) is N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine is CCC(C)n1ncc2cc(CNC(C)C)cnc21.
What is the InChIKey of N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine?
The InChIKey is XSCZWECHVLSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-11(4)18-14-13(9-17-18)6-12(8-16-14)7-15-10(2)3/h6,8-11,15H,5,7H2,1-4H3.
What are the key properties of N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine?
N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 63770838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).