(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone

C16H22N4O2 — CID 154789275

IUPAC(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone
SMILESCC1(C)CCC(CO)N(C(=O)c2cnn3ccc(N)cc23)C1
InChIInChI=1S/C16H22N4O2/c1-16(2)5-3-12(9-21)19(10-16)15(22)13-8-18-20-6-4-11(17)7-14(13)20/h4,6-8,12,21H,3,5,9-10,17H2,1-2H3
InChIKeyLUSWHJXVALJNMD-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.54
Rot. Bonds2

About (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone (PubChem CID 154789275) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone
PubChem CID154789275
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone
SMILESCC1(C)CCC(CO)N(C(=O)c2cnn3ccc(N)cc23)C1
InChIInChI=1S/C16H22N4O2/c1-16(2)5-3-12(9-21)19(10-16)15(22)13-8-18-20-6-4-11(17)7-14(13)20/h4,6-8,12,21H,3,5,9-10,17H2,1-2H3
InChIKeyLUSWHJXVALJNMD-UHFFFAOYSA-N
XLogP1.54
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3,3-dimethyl-2-(oxolan-2-yl)azetidin-1-yl]methanone
CID 138010804
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone
CID 138010926
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138011098
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138049829
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
5-amino-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 138011128
[2-(aminomethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119631215
[4-(hydroxymethyl)-2-methoxyphenyl]-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]methanone
CID 138012575
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103122402
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone (CID 154789275) is (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone is CC1(C)CCC(CO)N(C(=O)c2cnn3ccc(N)cc23)C1.
What is the InChIKey of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is LUSWHJXVALJNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2)5-3-12(9-21)19(10-16)15(22)13-8-18-20-6-4-11(17)7-14(13)20/h4,6-8,12,21H,3,5,9-10,17H2,1-2H3.
What are the key properties of (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone?
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 154789275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).