N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

C22H23N5 — CID 56712613

IUPACN-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccncc1)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H23N5/c1-2-12-26(15-18-8-10-23-11-9-18)16-19-13-24-22-21(14-25-27(22)17-19)20-6-4-3-5-7-20/h3-11,13-14,17H,2,12,15-16H2,1H3
InChIKeyVDCFOBNHGHRZBG-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.20
Rot. Bonds7

About N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 56712613) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID56712613
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccncc1)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H23N5/c1-2-12-26(15-18-8-10-23-11-9-18)16-19-13-24-22-21(14-25-27(22)17-19)20-6-4-3-5-7-20/h3-11,13-14,17H,2,12,15-16H2,1H3
InChIKeyVDCFOBNHGHRZBG-UHFFFAOYSA-N
XLogP4.20
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-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 N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (CID 56712613) is N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is CCCN(Cc1ccncc1)Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is VDCFOBNHGHRZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-12-26(15-18-8-10-23-11-9-18)16-19-13-24-22-21(14-25-27(22)17-19)20-6-4-3-5-7-20/h3-11,13-14,17H,2,12,15-16H2,1H3.
What are the key properties of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 357.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 56712613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).