2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 4898833

IUPAC2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(Nc3ccncc3)cc(C(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C21H21N5/c1-14(2)18-13-19(23-17-9-11-22-12-10-17)26-21(24-18)20(15(3)25-26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,23)
InChIKeyBNXRPZIDPGQNMM-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.97
Rot. Bonds4

About 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4898833) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4898833
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(Nc3ccncc3)cc(C(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C21H21N5/c1-14(2)18-13-19(23-17-9-11-22-12-10-17)26-21(24-18)20(15(3)25-26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,23)
InChIKeyBNXRPZIDPGQNMM-UHFFFAOYSA-N
XLogP4.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4898833) is 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2c(Nc3ccncc3)cc(C(C)C)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BNXRPZIDPGQNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-14(2)18-13-19(23-17-9-11-22-12-10-17)26-21(24-18)20(15(3)25-26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,23).
What are the key properties of 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4898833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).