Skip to content

DVNORHCAMSIRBE-UHFFFAOYSA-N

C23H23ClN6O2 — CID 45380791

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN6O2/c1-31-20-12-16(32-15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29)
InChIKeyDVNORHCAMSIRBE-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.33
Rot. Bonds6

About DVNORHCAMSIRBE-UHFFFAOYSA-N

DVNORHCAMSIRBE-UHFFFAOYSA-N (PubChem CID 45380791) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameDVNORHCAMSIRBE-UHFFFAOYSA-N
PubChem CID45380791
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN6O2/c1-31-20-12-16(32-15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29)
InChIKeyDVNORHCAMSIRBE-UHFFFAOYSA-N
XLogP4.33
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze DVNORHCAMSIRBE-UHFFFAOYSA-N 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 DVNORHCAMSIRBE-UHFFFAOYSA-N?
The IUPAC name of DVNORHCAMSIRBE-UHFFFAOYSA-N (CID 45380791) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for DVNORHCAMSIRBE-UHFFFAOYSA-N?
The canonical SMILES for DVNORHCAMSIRBE-UHFFFAOYSA-N is COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of DVNORHCAMSIRBE-UHFFFAOYSA-N?
The InChIKey is DVNORHCAMSIRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-31-20-12-16(32-15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29).
What are the key properties of DVNORHCAMSIRBE-UHFFFAOYSA-N?
DVNORHCAMSIRBE-UHFFFAOYSA-N has a molecular weight of 450.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for DVNORHCAMSIRBE-UHFFFAOYSA-N is sourced from PubChem (CID 45380791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.