5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

C20H19ClN8OS — CID 11351514

IUPAC5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESClc1cnc(N2CCCC2c2cc(-c3nccs3)no2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19ClN8OS/c21-12-10-23-20(25-18(12)24-17-9-13(26-27-17)11-3-4-11)29-6-1-2-15(29)16-8-14(28-30-16)19-22-5-7-31-19/h5,7-11,15H,1-4,6H2,(H2,23,24,25,26,27)
InChIKeyHQQBEGMTBZVRNX-UHFFFAOYSA-N
MW454.95 g/mol
LogP4.93
Rot. Bonds6

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 11351514) has the molecular formula C20H19ClN8OS and a molecular weight of 454.95 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID11351514
Molecular FormulaC20H19ClN8OS
Molecular Weight454.95 g/mol
Exact Mass454.11
IUPAC Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESClc1cnc(N2CCCC2c2cc(-c3nccs3)no2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19ClN8OS/c21-12-10-23-20(25-18(12)24-17-9-13(26-27-17)11-3-4-11)29-6-1-2-15(29)16-8-14(28-30-16)19-22-5-7-31-19/h5,7-11,15H,1-4,6H2,(H2,23,24,25,26,27)
InChIKeyHQQBEGMTBZVRNX-UHFFFAOYSA-N
XLogP4.93
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-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 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 11351514) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is Clc1cnc(N2CCCC2c2cc(-c3nccs3)no2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is HQQBEGMTBZVRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8OS/c21-12-10-23-20(25-18(12)24-17-9-13(26-27-17)11-3-4-11)29-6-1-2-15(29)16-8-14(28-30-16)19-22-5-7-31-19/h5,7-11,15H,1-4,6H2,(H2,23,24,25,26,27).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 454.95 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 11351514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).