2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine

C23H21F2N7 — CID 171517462

IUPAC2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
SMILESCN1CCN(c2cccc(-n3cc(-c4ccnc(-c5c(F)cccc5F)n4)cn3)n2)CC1
InChIInChI=1S/C23H21F2N7/c1-30-10-12-31(13-11-30)20-6-3-7-21(29-20)32-15-16(14-27-32)19-8-9-26-23(28-19)22-17(24)4-2-5-18(22)25/h2-9,14-15H,10-13H2,1H3
InChIKeyNBJQYHJVTSWWRG-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.42
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine

2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine (PubChem CID 171517462) has the molecular formula C23H21F2N7 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
PubChem CID171517462
Molecular FormulaC23H21F2N7
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
SMILESCN1CCN(c2cccc(-n3cc(-c4ccnc(-c5c(F)cccc5F)n4)cn3)n2)CC1
InChIInChI=1S/C23H21F2N7/c1-30-10-12-31(13-11-30)20-6-3-7-21(29-20)32-15-16(14-27-32)19-8-9-26-23(28-19)22-17(24)4-2-5-18(22)25/h2-9,14-15H,10-13H2,1H3
InChIKeyNBJQYHJVTSWWRG-UHFFFAOYSA-N
XLogP3.42
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517360
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
(2S)-2-[[4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidin-2-yl]amino]-2-phenylethanol
CID 171517385
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 171517471
(3R,5S)-5-(aminomethyl)-1-[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 171517422
(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
CID 171517345
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 171517285
4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 46992065
[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane
CID 171517474
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 141132498
1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine
CID 110173056
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine (CID 171517462) is 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine is CN1CCN(c2cccc(-n3cc(-c4ccnc(-c5c(F)cccc5F)n4)cn3)n2)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
The InChIKey is NBJQYHJVTSWWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7/c1-30-10-12-31(13-11-30)20-6-3-7-21(29-20)32-15-16(14-27-32)19-8-9-26-23(28-19)22-17(24)4-2-5-18(22)25/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine has a molecular weight of 433.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 171517462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).