[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate

C27H25Cl2FN6O2 — CID 71256435

IUPAC[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1Cl)OC1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C27H25Cl2FN6O2/c28-22-4-2-1-3-17(22)14-32-26-33-16-21-24(35-26)7-10-31-25(21)36-11-8-20(9-12-36)38-27(37)34-15-18-5-6-19(30)13-23(18)29/h1-7,10,13,16,20H,8-9,11-12,14-15H2,(H,34,37)(H,32,33,35)
InChIKeySUKXKNAIPKDADL-UHFFFAOYSA-N
MW555.44 g/mol
LogP5.98
Rot. Bonds7

About [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate

[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate (PubChem CID 71256435) has the molecular formula C27H25Cl2FN6O2 and a molecular weight of 555.44 g/mol. Its IUPAC name is [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate
PubChem CID71256435
Molecular FormulaC27H25Cl2FN6O2
Molecular Weight555.44 g/mol
Exact Mass554.14
IUPAC Name[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1Cl)OC1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C27H25Cl2FN6O2/c28-22-4-2-1-3-17(22)14-32-26-33-16-21-24(35-26)7-10-31-25(21)36-11-8-20(9-12-36)38-27(37)34-15-18-5-6-19(30)13-23(18)29/h1-7,10,13,16,20H,8-9,11-12,14-15H2,(H,34,37)(H,32,33,35)
InChIKeySUKXKNAIPKDADL-UHFFFAOYSA-N
XLogP5.98
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.44
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate 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 [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The IUPAC name of [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate (CID 71256435) is [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)cc1Cl)OC1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1.
What is the InChIKey of [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The InChIKey is SUKXKNAIPKDADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2FN6O2/c28-22-4-2-1-3-17(22)14-32-26-33-16-21-24(35-26)7-10-31-25(21)36-11-8-20(9-12-36)38-27(37)34-15-18-5-6-19(30)13-23(18)29/h1-7,10,13,16,20H,8-9,11-12,14-15H2,(H,34,37)(H,32,33,35).
What are the key properties of [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate has a molecular weight of 555.44 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-[(2-chloro-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 71256435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).