N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide

C21H17F3N6O2 — CID 58155013

IUPACN-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F
InChIInChI=1S/C21H17F3N6O2/c1-25-20(32)15-8-26-10-28-19(15)30-17-7-18(27-9-16(17)21(22,23)24)29-13-3-2-11-5-14(31)6-12(11)4-13/h2-4,7-10H,5-6H2,1H3,(H,25,32)(H2,26,27,28,29,30)
InChIKeyCSFBQZNYUWBZGM-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide

N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 58155013) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
PubChem CID58155013
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC NameN-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F
InChIInChI=1S/C21H17F3N6O2/c1-25-20(32)15-8-26-10-28-19(15)30-17-7-18(27-9-16(17)21(22,23)24)29-13-3-2-11-5-14(31)6-12(11)4-13/h2-4,7-10H,5-6H2,1H3,(H,25,32)(H2,26,27,28,29,30)
InChIKeyCSFBQZNYUWBZGM-UHFFFAOYSA-N
XLogP3.40
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 16059729
8-(2,3-Dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24880043
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937369
8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937370
8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-N-(propan-2-yloxy)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937495
8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937497
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-({4-[2-(3-oxopiperazin-1-yl)ethyl]phenyl}amino)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937622
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-{[4-(piperidin-4-yl)phenyl]amino}-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937746
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(morpholin-4-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937877
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218654
2-{[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]amino}-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218657
2,4-Diamino-5-ketopyrimidine 20
CID 11975202

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide (CID 58155013) is N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide is CNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)CC(=O)C3)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The InChIKey is CSFBQZNYUWBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-25-20(32)15-8-26-10-28-19(15)30-17-7-18(27-9-16(17)21(22,23)24)29-13-3-2-11-5-14(31)6-12(11)4-13/h2-4,7-10H,5-6H2,1H3,(H,25,32)(H2,26,27,28,29,30).
What are the key properties of N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58155013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).