N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide

C22H16F2N8O2 — CID 71621575

IUPACN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1cc[nH]c1
InChIInChI=1S/C22H16F2N8O2/c23-14-3-1-2-13(19(14)24)11-32-18(15-5-7-34-31-15)8-16(30-32)21-27-10-17(20(25)29-21)28-22(33)12-4-6-26-9-12/h1-10,26H,11H2,(H,28,33)(H2,25,27,29)
InChIKeyDNRAGWRSNGZCBS-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.48
Rot. Bonds6

About N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide

N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide (PubChem CID 71621575) has the molecular formula C22H16F2N8O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide
PubChem CID71621575
Molecular FormulaC22H16F2N8O2
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC NameN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1cc[nH]c1
InChIInChI=1S/C22H16F2N8O2/c23-14-3-1-2-13(19(14)24)11-32-18(15-5-7-34-31-15)8-16(30-32)21-27-10-17(20(25)29-21)28-22(33)12-4-6-26-9-12/h1-10,26H,11H2,(H,28,33)(H2,25,27,29)
InChIKeyDNRAGWRSNGZCBS-UHFFFAOYSA-N
XLogP3.48
TPSA140.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide 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-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide (CID 71621575) is N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide is Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1cc[nH]c1.
What is the InChIKey of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is DNRAGWRSNGZCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N8O2/c23-14-3-1-2-13(19(14)24)11-32-18(15-5-7-34-31-15)8-16(30-32)21-27-10-17(20(25)29-21)28-22(33)12-4-6-26-9-12/h1-10,26H,11H2,(H,28,33)(H2,25,27,29).
What are the key properties of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide?
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 71621575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).