2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol

C25H30F2N6O2 — CID 171725275

IUPAC2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol
SMILESC[C@@H]1CNCCN1c1nc(OCC2(CN(C)C)CC2)nc2nc(-c3c(O)cccc3F)c(F)cc12
InChIInChI=1S/C25H30F2N6O2/c1-15-12-28-9-10-33(15)23-16-11-18(27)21(20-17(26)5-4-6-19(20)34)29-22(16)30-24(31-23)35-14-25(7-8-25)13-32(2)3/h4-6,11,15,28,34H,7-10,12-14H2,1-3H3/t15-/m1/s1
InChIKeySTIYALMAWKDFOM-OAHLLOKOSA-N
MW484.55 g/mol
LogP3.19
Rot. Bonds7

About 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol

2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol (PubChem CID 171725275) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol
PubChem CID171725275
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol
SMILESC[C@@H]1CNCCN1c1nc(OCC2(CN(C)C)CC2)nc2nc(-c3c(O)cccc3F)c(F)cc12
InChIInChI=1S/C25H30F2N6O2/c1-15-12-28-9-10-33(15)23-16-11-18(27)21(20-17(26)5-4-6-19(20)34)29-22(16)30-24(31-23)35-14-25(7-8-25)13-32(2)3/h4-6,11,15,28,34H,7-10,12-14H2,1-3H3/t15-/m1/s1
InChIKeySTIYALMAWKDFOM-OAHLLOKOSA-N
XLogP3.19
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol with MolForge

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Related Compounds

3-fluoro-2-[6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]phenol
CID 171725322
2-[6-chloro-8-fluoro-4-(2-methylpiperazin-1-yl)-2-(2-pyrimidin-2-ylethoxy)quinazolin-7-yl]-3-fluorophenol
CID 145378206
1-(2,4-dimethyl-3-pyridinyl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 167088579
2-[6-chloro-8-fluoro-4-[(2S)-2-methylpiperazin-1-yl]-2-[2-(4-methylpyrimidin-2-yl)ethoxy]quinazolin-7-yl]-3-fluorophenol
CID 138607658
8-fluoro-7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-(2-methylpiperazin-1-yl)-2-(2-pyrimidin-2-ylethoxy)quinazoline;propane
CID 145378219
6-fluoro-7-[2-fluoro-6-(hydroxymethyl)phenyl]-4-[(2S)-2-methylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155774954
tert-butyl 4-[6-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 174240967
1-[(3R)-4-[6-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 165388997
1-[(3R)-4-[6-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(8-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 171611822
4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-[(3R,5R)-3-ethyl-5-methylpiperazin-1-yl]-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
CID 175638252
4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(1,5-dimethyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-6,8-difluoroquinazolin-7-yl]naphthalen-2-ol
CID 175638313
1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-fluoronaphthalen-1-yl)pyrido[2,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 171611774

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
The IUPAC name of 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol (CID 171725275) is 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol.
What is the SMILES notation for 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
The canonical SMILES for 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol is C[C@@H]1CNCCN1c1nc(OCC2(CN(C)C)CC2)nc2nc(-c3c(O)cccc3F)c(F)cc12.
What is the InChIKey of 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
The InChIKey is STIYALMAWKDFOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c1-15-12-28-9-10-33(15)23-16-11-18(27)21(20-17(26)5-4-6-19(20)34)29-22(16)30-24(31-23)35-14-25(7-8-25)13-32(2)3/h4-6,11,15,28,34H,7-10,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol has a molecular weight of 484.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-fluoro-4-[(2R)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol is sourced from PubChem (CID 171725275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).