N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine

C17H22N8O — CID 91016821

IUPACN-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C17H22N8O/c1-10(23-26)14-15(11-4-3-5-19-6-11)22-17-13(8-21-25(17)16(14)18)12-7-20-24(2)9-12/h7-9,11,19,26H,3-6,18H2,1-2H3
InChIKeyKVYPNUDMFOGLOK-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.38
Rot. Bonds3

About N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine

N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine (PubChem CID 91016821) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine
PubChem CID91016821
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
InChIInChI=1S/C17H22N8O/c1-10(23-26)14-15(11-4-3-5-19-6-11)22-17-13(8-21-25(17)16(14)18)12-7-20-24(2)9-12/h7-9,11,19,26H,3-6,18H2,1-2H3
InChIKeyKVYPNUDMFOGLOK-UHFFFAOYSA-N
XLogP1.38
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 164925744
CID 164925744
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158971683
6-cyclopropyl-3-(2-methyl-1,5-dihydropyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71198892
(NE)-N-[1-[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethylidene]hydroxylamine
CID 24821564
6-bromo-3-(1-methylpyrazol-4-yl)-5-(1-methylsulfonyl-1,4-diazepan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821321
1-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]azepan-1-yl]ethanone
CID 58364631
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24822346
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364903
5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160637867
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine (CID 91016821) is N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine is CC(=NO)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.
What is the InChIKey of N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine?
The InChIKey is KVYPNUDMFOGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-10(23-26)14-15(11-4-3-5-19-6-11)22-17-13(8-21-25(17)16(14)18)12-7-20-24(2)9-12/h7-9,11,19,26H,3-6,18H2,1-2H3.
What are the key properties of N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine?
N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine has a molecular weight of 354.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 91016821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).