N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

C23H24N8O2 — CID 159280584

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1
InChIInChI=1S/C23H24N8O2/c32-22(25-8-7-18-14-24-15-27-18)20-6-1-16-13-26-23(30-21(16)29-20)28-17-2-4-19(5-3-17)31-9-11-33-12-10-31/h1-6,13-15H,7-12H2,(H,24,27)(H,25,32)(H,26,28,29,30)
InChIKeyKYWCAIZDFSLTOX-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 159280584) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID159280584
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1
InChIInChI=1S/C23H24N8O2/c32-22(25-8-7-18-14-24-15-27-18)20-6-1-16-13-26-23(30-21(16)29-20)28-17-2-4-19(5-3-17)31-9-11-33-12-10-31/h1-6,13-15H,7-12H2,(H,24,27)(H,25,32)(H,26,28,29,30)
InChIKeyKYWCAIZDFSLTOX-UHFFFAOYSA-N
XLogP2.30
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11612977
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027842
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
2-(4-morpholin-4-ylanilino)-6-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxylic acid
CID 68819126
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11444441
N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 95722116
1-[4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidin-1-yl]ethanone
CID 59160532
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
N-butyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109296654

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 159280584) is N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is KYWCAIZDFSLTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c32-22(25-8-7-18-14-24-15-27-18)20-6-1-16-13-26-23(30-21(16)29-20)28-17-2-4-19(5-3-17)31-9-11-33-12-10-31/h1-6,13-15H,7-12H2,(H,24,27)(H,25,32)(H,26,28,29,30).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 159280584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).