4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine

C20H23N5 — CID 68515357

IUPAC4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccccc3)nn3c2CCCC3)n1
InChIInChI=1S/C20H23N5/c1-14(2)22-20-21-12-11-16(23-20)18-17-10-6-7-13-25(17)24-19(18)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,21,22,23)
InChIKeyDSNUIPJKUIMUOU-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.16
Rot. Bonds4

About 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine

4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 68515357) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID68515357
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccccc3)nn3c2CCCC3)n1
InChIInChI=1S/C20H23N5/c1-14(2)22-20-21-12-11-16(23-20)18-17-10-6-7-13-25(17)24-19(18)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,21,22,23)
InChIKeyDSNUIPJKUIMUOU-UHFFFAOYSA-N
XLogP4.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine (CID 68515357) is 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2c(-c3ccccc3)nn3c2CCCC3)n1.
What is the InChIKey of 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is DSNUIPJKUIMUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-14(2)22-20-21-12-11-16(23-20)18-17-10-6-7-13-25(17)24-19(18)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine?
4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 68515357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).