[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C24H27ClN6O — CID 46222358

IUPAC[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2nccc3nc(NCc4ccc(Cl)cc4)ncc23)CC1)N1CCCC1
InChIInChI=1S/C24H27ClN6O/c25-19-5-3-17(4-6-19)15-27-24-28-16-20-21(29-24)7-10-26-22(20)30-13-8-18(9-14-30)23(32)31-11-1-2-12-31/h3-7,10,16,18H,1-2,8-9,11-15H2,(H,27,28,29)
InChIKeyPNQAHNGKPBXFKO-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.13
Rot. Bonds5

About [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46222358) has the molecular formula C24H27ClN6O and a molecular weight of 450.97 g/mol. Its IUPAC name is [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID46222358
Molecular FormulaC24H27ClN6O
Molecular Weight450.97 g/mol
Exact Mass450.19
IUPAC Name[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2nccc3nc(NCc4ccc(Cl)cc4)ncc23)CC1)N1CCCC1
InChIInChI=1S/C24H27ClN6O/c25-19-5-3-17(4-6-19)15-27-24-28-16-20-21(29-24)7-10-26-22(20)30-13-8-18(9-14-30)23(32)31-11-1-2-12-31/h3-7,10,16,18H,1-2,8-9,11-15H2,(H,27,28,29)
InChIKeyPNQAHNGKPBXFKO-UHFFFAOYSA-N
XLogP4.13
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 11675388
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
(R)-(4-(4-((2,4-dichlorobenzyl)amino)pyrido(2,3-d)pyrimidin-2-yl)piperazin-1-yl)-piperidin-2-yl-methanone
CID 9827294
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(4-methyl-1-piperazinyl)-2-pentynamide
CID 11518389
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyl-4-pyridinyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 60198530
(S)-2-(2-(((4-((8-chloro-1,7-naphthyridin-2-yl)amino)cyclohexyl)methyl)amino)pyrimidin-5-yl)-N-(oxetan-3-yl)propanamide
CID 156215482
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
1,6-Naphthyridine 33
CID 5330143
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
N-[4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-(1-piperidinyl)-2-pentynamide
CID 11604864

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 46222358) is [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2nccc3nc(NCc4ccc(Cl)cc4)ncc23)CC1)N1CCCC1.
What is the InChIKey of [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PNQAHNGKPBXFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O/c25-19-5-3-17(4-6-19)15-27-24-28-16-20-21(29-24)7-10-26-22(20)30-13-8-18(9-14-30)23(32)31-11-1-2-12-31/h3-7,10,16,18H,1-2,8-9,11-15H2,(H,27,28,29).
What are the key properties of [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 450.97 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-chlorophenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46222358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).