(3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol

C15H16N6O — CID 56905912

IUPAC(3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCn1ncc2c(N3CC[C@H](O)C3)nc(-c3ccncc3)nc21
InChIInChI=1S/C15H16N6O/c1-20-14-12(8-17-20)15(21-7-4-11(22)9-21)19-13(18-14)10-2-5-16-6-3-10/h2-3,5-6,8,11,22H,4,7,9H2,1H3/t11-/m0/s1
InChIKeyXWIPVMCCJDGLJY-NSHDSACASA-N
MW296.33 g/mol
LogP1.00
Rot. Bonds2

About (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 56905912) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID56905912
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name(3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCn1ncc2c(N3CC[C@H](O)C3)nc(-c3ccncc3)nc21
InChIInChI=1S/C15H16N6O/c1-20-14-12(8-17-20)15(21-7-4-11(22)9-21)19-13(18-14)10-2-5-16-6-3-10/h2-3,5-6,8,11,22H,4,7,9H2,1H3/t11-/m0/s1
InChIKeyXWIPVMCCJDGLJY-NSHDSACASA-N
XLogP1.00
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 56905912) is (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol is Cn1ncc2c(N3CC[C@H](O)C3)nc(-c3ccncc3)nc21.
What is the InChIKey of (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is XWIPVMCCJDGLJY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N6O/c1-20-14-12(8-17-20)15(21-7-4-11(22)9-21)19-13(18-14)10-2-5-16-6-3-10/h2-3,5-6,8,11,22H,4,7,9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 296.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 56905912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).