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

C25H25ClN6O3 — CID 71256402

IUPAC[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)OC1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C25H25ClN6O3/c26-21-6-2-1-4-17(21)14-28-24-29-16-20-22(31-24)7-10-27-23(20)32-11-8-18(9-12-32)35-25(33)30-15-19-5-3-13-34-19/h1-7,10,13,16,18H,8-9,11-12,14-15H2,(H,30,33)(H,28,29,31)
InChIKeyXAANSHIRBXWYSA-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.78
Rot. Bonds7

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

[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate (PubChem CID 71256402) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate
PubChem CID71256402
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)OC1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
InChIInChI=1S/C25H25ClN6O3/c26-21-6-2-1-4-17(21)14-28-24-29-16-20-22(31-24)7-10-27-23(20)32-11-8-18(9-12-32)35-25(33)30-15-19-5-3-13-34-19/h1-7,10,13,16,18H,8-9,11-12,14-15H2,(H,30,33)(H,28,29,31)
InChIKeyXAANSHIRBXWYSA-UHFFFAOYSA-N
XLogP4.78
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46221722
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 46221917
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46221919
[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-3-yl] N-(3-methoxypropyl)carbamate
CID 71256456
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 58450164
3-methoxypropyl 4-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylate
CID 58450142
1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 58450136
[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46222358
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
methyl 1-[3-[(1R)-1-cyano-2-(furan-2-ylmethylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
CID 40837325
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973

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-(furan-2-ylmethyl)carbamate?
The IUPAC name of [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate (CID 71256402) is [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate is O=C(NCc1ccco1)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-(furan-2-ylmethyl)carbamate?
The InChIKey is XAANSHIRBXWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c26-21-6-2-1-4-17(21)14-28-24-29-16-20-22(31-24)7-10-27-23(20)32-11-8-18(9-12-32)35-25(33)30-15-19-5-3-13-34-19/h1-7,10,13,16,18H,8-9,11-12,14-15H2,(H,30,33)(H,28,29,31).
What are the key properties of [1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate?
[1-[2-[(2-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl] N-(furan-2-ylmethyl)carbamate has a molecular weight of 492.97 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-(furan-2-ylmethyl)carbamate is sourced from PubChem (CID 71256402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).