1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C40H36N10O2 — CID 158414220

IUPAC1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.CC(O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O.C20H17N5O/c2*1-14(26)17-13-23-25-19(22-12-15-6-5-9-21-11-15)10-18(24-20(17)25)16-7-3-2-4-8-16/h2-11,13-14,22,26H,12H2,1H3;2-11,13,22H,12H2,1H3
InChIKeyGZRMMPXRMAQDEI-UHFFFAOYSA-N
MW688.80 g/mol
LogP7.06
Rot. Bonds10

About 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 158414220) has the molecular formula C40H36N10O2 and a molecular weight of 688.80 g/mol. Its IUPAC name is 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID158414220
Molecular FormulaC40H36N10O2
Molecular Weight688.80 g/mol
Exact Mass688.30
IUPAC Name1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.CC(O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O.C20H17N5O/c2*1-14(26)17-13-23-25-19(22-12-15-6-5-9-21-11-15)10-18(24-20(17)25)16-7-3-2-4-8-16/h2-11,13-14,22,26H,12H2,1H3;2-11,13,22H,12H2,1H3
InChIKeyGZRMMPXRMAQDEI-UHFFFAOYSA-N
XLogP7.06
TPSA147.52 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500688.80
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone with MolForge

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Related Compounds

(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327832
5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449982
5-[1-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559190
N-[(1R,2S)-2-fluorocyclopropyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559943
N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559951
5-[1-[(3R,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560021
5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560195
5-[1-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146570011
5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146570136
N-[(2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146570481
N-[(1R,2R)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572541

Frequently Asked Questions

What is the IUPAC name of 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 158414220) is 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CC(=O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.CC(O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is GZRMMPXRMAQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C20H17N5O/c2*1-14(26)17-13-23-25-19(22-12-15-6-5-9-21-11-15)10-18(24-20(17)25)16-7-3-2-4-8-16/h2-11,13-14,22,26H,12H2,1H3;2-11,13,22H,12H2,1H3.
What are the key properties of 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 688.80 g/mol, XLogP of 7.06, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 158414220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).