N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid

C22H19F3N6O3 — CID 157423007

IUPACN-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2cnccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18N6O.C2HF3O2/c1-3-14-12-26(18-11-21-9-7-15(14)18)25-20(27)16-10-23-19(24-13(16)2)17-6-4-5-8-22-17;3-2(4,5)1(6)7/h4-12H,3H2,1-2H3,(H,25,27);(H,6,7)
InChIKeyBPQCCIHEGZNFGP-UHFFFAOYSA-N
MW472.43 g/mol
LogP3.78
Rot. Bonds4

About N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid

N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 157423007) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID157423007
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC NameN-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2cnccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18N6O.C2HF3O2/c1-3-14-12-26(18-11-21-9-7-15(14)18)25-20(27)16-10-23-19(24-13(16)2)17-6-4-5-8-22-17;3-2(4,5)1(6)7/h4-12H,3H2,1-2H3,(H,25,27);(H,6,7)
InChIKeyBPQCCIHEGZNFGP-UHFFFAOYSA-N
XLogP3.78
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59199955
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59200027
N-[3-ethyl-5-(trifluoromethyl)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59199982
N-[3-ethyl-5-(trifluoromethoxy)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59200000
4-methyl-2-pyrimidin-2-yl-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91458147
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91514664
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
4-methyl-2-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91479222
tert-butyl 4-[5-fluoro-1-[(4-methyl-2-pyridin-2-ylpyrimidine-5-carbonyl)amino]indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68555150
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134262
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 90937410

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid (CID 157423007) is N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid is CCc1cn(NC(=O)c2cnc(-c3ccccn3)nc2C)c2cnccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BPQCCIHEGZNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C2HF3O2/c1-3-14-12-26(18-11-21-9-7-15(14)18)25-20(27)16-10-23-19(24-13(16)2)17-6-4-5-8-22-17;3-2(4,5)1(6)7/h4-12H,3H2,1-2H3,(H,25,27);(H,6,7).
What are the key properties of N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid?
N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpyrrolo[2,3-c]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157423007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).