(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone

C27H29N5O2 — CID 167689080

IUPAC(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CCC(O)CC5)cc4)n3)cc12
InChIInChI=1S/C27H29N5O2/c1-18(2)23-17-29-32-14-8-21(16-25(23)32)24-7-11-28-26(30-24)15-19-3-5-20(6-4-19)27(34)31-12-9-22(33)10-13-31/h3-8,11,14,16-18,22,33H,9-10,12-13,15H2,1-2H3
InChIKeyWQSSBWIEYAVOMO-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.10
Rot. Bonds5

About (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone

(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone (PubChem CID 167689080) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
PubChem CID167689080
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CCC(O)CC5)cc4)n3)cc12
InChIInChI=1S/C27H29N5O2/c1-18(2)23-17-29-32-14-8-21(16-25(23)32)24-7-11-28-26(30-24)15-19-3-5-20(6-4-19)27(34)31-12-9-22(33)10-13-31/h3-8,11,14,16-18,22,33H,9-10,12-13,15H2,1-2H3
InChIKeyWQSSBWIEYAVOMO-UHFFFAOYSA-N
XLogP4.10
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone (CID 167689080) is (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone is CC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CCC(O)CC5)cc4)n3)cc12.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The InChIKey is WQSSBWIEYAVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-18(2)23-17-29-32-14-8-21(16-25(23)32)24-7-11-28-26(30-24)15-19-3-5-20(6-4-19)27(34)31-12-9-22(33)10-13-31/h3-8,11,14,16-18,22,33H,9-10,12-13,15H2,1-2H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone has a molecular weight of 455.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone is sourced from PubChem (CID 167689080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).