(1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol

C18H22N6O — CID 70878983

IUPAC(1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCc1cnn2c(NCc3cccnc3)cc(NC3CCC[C@@H]3O)nc12
InChIInChI=1S/C18H22N6O/c1-12-9-21-24-17(20-11-13-4-3-7-19-10-13)8-16(23-18(12)24)22-14-5-2-6-15(14)25/h3-4,7-10,14-15,20,25H,2,5-6,11H2,1H3,(H,22,23)/t14?,15-/m0/s1
InChIKeyHUUIFKNKDXAVQC-LOACHALJSA-N
MW338.42 g/mol
LogP2.37
Rot. Bonds5

About (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol

(1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 70878983) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol
PubChem CID70878983
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCc1cnn2c(NCc3cccnc3)cc(NC3CCC[C@@H]3O)nc12
InChIInChI=1S/C18H22N6O/c1-12-9-21-24-17(20-11-13-4-3-7-19-10-13)8-16(23-18(12)24)22-14-5-2-6-15(14)25/h3-4,7-10,14-15,20,25H,2,5-6,11H2,1H3,(H,22,23)/t14?,15-/m0/s1
InChIKeyHUUIFKNKDXAVQC-LOACHALJSA-N
XLogP2.37
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The IUPAC name of (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 70878983) is (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The canonical SMILES for (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol is Cc1cnn2c(NCc3cccnc3)cc(NC3CCC[C@@H]3O)nc12.
What is the InChIKey of (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The InChIKey is HUUIFKNKDXAVQC-LOACHALJSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-9-21-24-17(20-11-13-4-3-7-19-10-13)8-16(23-18(12)24)22-14-5-2-6-15(14)25/h3-4,7-10,14-15,20,25H,2,5-6,11H2,1H3,(H,22,23)/t14?,15-/m0/s1.
What are the key properties of (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol?
(1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 338.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[3-methyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 70878983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).