7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride

C21H27ClN6O2 — CID 162169609

IUPAC7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride
SMILESCCn1c(N)cc(=O)c2cnc(Nc3ccc(C4CCNCC4)cc3OC)nc21.Cl
InChIInChI=1S/C21H26N6O2.ClH/c1-3-27-19(22)11-17(28)15-12-24-21(26-20(15)27)25-16-5-4-14(10-18(16)29-2)13-6-8-23-9-7-13;/h4-5,10-13,23H,3,6-9,22H2,1-2H3,(H,24,25,26);1H
InChIKeyNQGXNLXXKNZCQX-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.03
Rot. Bonds5

About 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride

7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride (PubChem CID 162169609) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride
PubChem CID162169609
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC Name7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride
SMILESCCn1c(N)cc(=O)c2cnc(Nc3ccc(C4CCNCC4)cc3OC)nc21.Cl
InChIInChI=1S/C21H26N6O2.ClH/c1-3-27-19(22)11-17(28)15-12-24-21(26-20(15)27)25-16-5-4-14(10-18(16)29-2)13-6-8-23-9-7-13;/h4-5,10-13,23H,3,6-9,22H2,1-2H3,(H,24,25,26);1H
InChIKeyNQGXNLXXKNZCQX-UHFFFAOYSA-N
XLogP3.03
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926185
7-amino-2-[4-(1-cyclopropylpiperidin-4-yl)-2-methoxyanilino]-8-(2-hydroxy-2-methylpropyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926394
3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
CID 122648801
N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 67438066
2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 157250754
5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 86719245
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581
9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-7-methylpurin-8-one
CID 67159329
5-chloro-2-N-(2-methoxy-4-piperidin-4-ylphenyl)-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 130374880
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
3-(1,4-dimethylpyrrolidin-3-yl)-7-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 168801439
N-[6-[[5-cyclopropyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 165394555

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride (CID 162169609) is 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride is CCn1c(N)cc(=O)c2cnc(Nc3ccc(C4CCNCC4)cc3OC)nc21.Cl.
What is the InChIKey of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride?
The InChIKey is NQGXNLXXKNZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.ClH/c1-3-27-19(22)11-17(28)15-12-24-21(26-20(15)27)25-16-5-4-14(10-18(16)29-2)13-6-8-23-9-7-13;/h4-5,10-13,23H,3,6-9,22H2,1-2H3,(H,24,25,26);1H.
What are the key properties of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride?
7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 162169609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).