7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C25H32N8O2 — CID 53303166

IUPAC7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1cc(N2CCN(C3CC3)CC2)ccc1Nc1ncc2c(=O)c(C(N)=O)c(N)n(CC)c2n1
InChIInChI=1S/C25H32N8O2/c1-3-15-13-17(32-11-9-31(10-12-32)16-5-6-16)7-8-19(15)29-25-28-14-18-21(34)20(23(27)35)22(26)33(4-2)24(18)30-25/h7-8,13-14,16H,3-6,9-12,26H2,1-2H3,(H2,27,35)(H,28,29,30)
InChIKeyCQXBKUODUUZWDT-UHFFFAOYSA-N
MW476.59 g/mol
LogP2.08
Rot. Bonds7

About 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53303166) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53303166
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1cc(N2CCN(C3CC3)CC2)ccc1Nc1ncc2c(=O)c(C(N)=O)c(N)n(CC)c2n1
InChIInChI=1S/C25H32N8O2/c1-3-15-13-17(32-11-9-31(10-12-32)16-5-6-16)7-8-19(15)29-25-28-14-18-21(34)20(23(27)35)22(26)33(4-2)24(18)30-25/h7-8,13-14,16H,3-6,9-12,26H2,1-2H3,(H2,27,35)(H,28,29,30)
InChIKeyCQXBKUODUUZWDT-UHFFFAOYSA-N
XLogP2.08
TPSA135.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-amino-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-2-fluoroanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303162
7-amino-2-[4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]-2-methoxyanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303769
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
7-amino-2-[3-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302578
7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302920
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-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 159115013
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581
7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302805
7-amino-2-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]anilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302471
[7-amino-2-[4-(4-ethylpiperidin-1-yl)-2-methoxyanilino]-8-(2-hydroxy-2-methylpropyl)-5-oxopyrido[2,3-d]pyrimidine-6-carbonyl]carbamic acid
CID 89147704
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 67325664

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 53303166) is 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCc1cc(N2CCN(C3CC3)CC2)ccc1Nc1ncc2c(=O)c(C(N)=O)c(N)n(CC)c2n1.
What is the InChIKey of 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CQXBKUODUUZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-3-15-13-17(32-11-9-31(10-12-32)16-5-6-16)7-8-19(15)29-25-28-14-18-21(34)20(23(27)35)22(26)33(4-2)24(18)30-25/h7-8,13-14,16H,3-6,9-12,26H2,1-2H3,(H2,27,35)(H,28,29,30).
What are the key properties of 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53303166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).