N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C16H24N4O — CID 106871582

IUPACN-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCOC1CCCC(Nc2cnc3c(cnn3C(C)C)c2)C1
InChIInChI=1S/C16H24N4O/c1-11(2)20-16-12(9-18-20)7-14(10-17-16)19-13-5-4-6-15(8-13)21-3/h7,9-11,13,15,19H,4-6,8H2,1-3H3
InChIKeyLMACLHDYGCYMKY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.38
Rot. Bonds4

About N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 106871582) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID106871582
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCOC1CCCC(Nc2cnc3c(cnn3C(C)C)c2)C1
InChIInChI=1S/C16H24N4O/c1-11(2)20-16-12(9-18-20)7-14(10-17-16)19-13-5-4-6-15(8-13)21-3/h7,9-11,13,15,19H,4-6,8H2,1-3H3
InChIKeyLMACLHDYGCYMKY-UHFFFAOYSA-N
XLogP3.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylcyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 79836173
N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 105363779
N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 79708149
N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 62536786
2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
CID 167863519
2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopentane-1-carboxamide
CID 64822861
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 94816028
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-2-carboxamide
CID 61258312
6-N-(3,4-difluorophenyl)-4-N-(3-methoxycyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158284
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106871912
3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344439

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 106871582) is N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is COC1CCCC(Nc2cnc3c(cnn3C(C)C)c2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is LMACLHDYGCYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)20-16-12(9-18-20)7-14(10-17-16)19-13-5-4-6-15(8-13)21-3/h7,9-11,13,15,19H,4-6,8H2,1-3H3.
What are the key properties of N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 288.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 106871582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).