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

C20H16F3N7O2 — CID 25074087

IUPACN-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C20H16F3N7O2/c1-24-19(32)12-7-25-9-27-18(12)30-15-6-16(26-8-13(15)20(21,22)23)28-11-2-3-14-10(4-11)5-17(31)29-14/h2-4,6-9H,5H2,1H3,(H,24,32)(H,29,31)(H2,25,26,27,28,30)
InChIKeyUXVFGHLCKKPJML-UHFFFAOYSA-N
MW443.39 g/mol
LogP3.23
Rot. Bonds5

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

N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 25074087) has the molecular formula C20H16F3N7O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
PubChem CID25074087
Molecular FormulaC20H16F3N7O2
Molecular Weight443.39 g/mol
Exact Mass443.13
IUPAC NameN-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C20H16F3N7O2/c1-24-19(32)12-7-25-9-27-18(12)30-15-6-16(26-8-13(15)20(21,22)23)28-11-2-3-14-10(4-11)5-17(31)29-14/h2-4,6-9H,5H2,1H3,(H,24,32)(H,29,31)(H2,25,26,27,28,30)
InChIKeyUXVFGHLCKKPJML-UHFFFAOYSA-N
XLogP3.23
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide (CID 25074087) is N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-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-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide is CNC(=O)c1cncnc1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The InChIKey is UXVFGHLCKKPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O2/c1-24-19(32)12-7-25-9-27-18(12)30-15-6-16(26-8-13(15)20(21,22)23)28-11-2-3-14-10(4-11)5-17(31)29-14/h2-4,6-9H,5H2,1H3,(H,24,32)(H,29,31)(H2,25,26,27,28,30).
What are the key properties of N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide?
N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 443.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 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-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 25074087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).