6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide

C24H20FN7O — CID 137379393

IUPAC6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4F)n3)cc2[nH]1
InChIInChI=1S/C24H20FN7O/c1-32(2)24(33)21-10-15-3-4-16(11-20(15)29-21)23-26-8-7-22(31-23)30-19-6-5-14(9-18(19)25)17-12-27-28-13-17/h3-13,29H,1-2H3,(H,27,28)(H,26,30,31)
InChIKeyFBVDLPATUUGMNC-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.60
Rot. Bonds5

About 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide

6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 137379393) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID137379393
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4F)n3)cc2[nH]1
InChIInChI=1S/C24H20FN7O/c1-32(2)24(33)21-10-15-3-4-16(11-20(15)29-21)23-26-8-7-22(31-23)30-19-6-5-14(9-18(19)25)17-12-27-28-13-17/h3-13,29H,1-2H3,(H,27,28)(H,26,30,31)
InChIKeyFBVDLPATUUGMNC-UHFFFAOYSA-N
XLogP4.60
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137379458
6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379460
N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379449
[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387475
N-(3-iodo-4-pyridinyl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137381693
2,6-diazaspiro[3.3]heptan-2-yl-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137382104
(2-chloroimidazol-1-yl)-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387474
(3,3-difluoroazetidin-1-yl)-[6-[4-[3-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387715
N-(1-methylpyrrolidin-3-yl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379422
6-[4-[3-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carbaldehyde
CID 167203011
[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]-(3-pyridin-4-ylpiperidin-1-yl)methanone
CID 137381745
2-(2-pyrazol-1-yl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387442

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 137379393) is 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4F)n3)cc2[nH]1.
What is the InChIKey of 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is FBVDLPATUUGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-32(2)24(33)21-10-15-3-4-16(11-20(15)29-21)23-26-8-7-22(31-23)30-19-6-5-14(9-18(19)25)17-12-27-28-13-17/h3-13,29H,1-2H3,(H,27,28)(H,26,30,31).
What are the key properties of 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 137379393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).