N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide

C23H22F2N6O — CID 155128753

IUPACN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4c(F)cc(F)cc34)cn2)c1
InChIInChI=1S/C23H22F2N6O/c1-12-6-13(2)29-20(7-12)31-23-27-10-15(11-28-23)22(32)26-5-4-17-14(3)30-21-18(17)8-16(24)9-19(21)25/h6-11,30H,4-5H2,1-3H3,(H,26,32)(H,27,28,29,31)
InChIKeyDIRYMNRBGHMUEG-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide

N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide (PubChem CID 155128753) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide
PubChem CID155128753
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC NameN-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4c(F)cc(F)cc34)cn2)c1
InChIInChI=1S/C23H22F2N6O/c1-12-6-13(2)29-20(7-12)31-23-27-10-15(11-28-23)22(32)26-5-4-17-14(3)30-21-18(17)8-16(24)9-19(21)25/h6-11,30H,4-5H2,1-3H3,(H,26,32)(H,27,28,29,31)
InChIKeyDIRYMNRBGHMUEG-UHFFFAOYSA-N
XLogP4.27
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quisinostat
CID 11538455
Gsk2656157
CID 53469059
Zipalertinib
CID 117918742
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
Quisinostat Hydrochloride
CID 25067557
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
CID 25099474
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(1H-indol-3-yl)-5-methyl-
CID 466843
Indole naphthyridinone 30
CID 6539897
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide (CID 155128753) is N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide is Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4c(F)cc(F)cc34)cn2)c1.
What is the InChIKey of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide?
The InChIKey is DIRYMNRBGHMUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-12-6-13(2)29-20(7-12)31-23-27-10-15(11-28-23)22(32)26-5-4-17-14(3)30-21-18(17)8-16(24)9-19(21)25/h6-11,30H,4-5H2,1-3H3,(H,26,32)(H,27,28,29,31).
What are the key properties of N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide?
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155128753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).