2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

C24H25F2N7O — CID 146806385

IUPAC2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CCNCC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)n[nH]1
InChIInChI=1S/C24H25F2N7O/c1-3-4-15-11-21(32-31-15)28-20-13-22(33-7-5-27-6-8-33)30-24(29-20)34-19-12-18(25)16-9-14(2)10-17(16)23(19)26/h3-4,10-13,27H,5-9H2,1-2H3,(H2,28,29,30,31,32)/b4-3+
InChIKeyRZEVEWPVCHCTGG-ONEGZZNKSA-N
MW465.51 g/mol
LogP4.42
Rot. Bonds6

About 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 146806385) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID146806385
Molecular FormulaC24H25F2N7O
Molecular Weight465.51 g/mol
Exact Mass465.21
IUPAC Name2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(N3CCNCC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)n[nH]1
InChIInChI=1S/C24H25F2N7O/c1-3-4-15-11-21(32-31-15)28-20-13-22(33-7-5-27-6-8-33)30-24(29-20)34-19-12-18(25)16-9-14(2)10-17(16)23(19)26/h3-4,10-13,27H,5-9H2,1-2H3,(H2,28,29,30,31,32)/b4-3+
InChIKeyRZEVEWPVCHCTGG-ONEGZZNKSA-N
XLogP4.42
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 78427559
2-[(5,8-difluoro-3-methyl-1,2-dihydroisoquinolin-6-yl)oxy]-6-morpholin-4-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 144622182
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(3-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 157361018
[1-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 118446826
4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-4-yl]piperazin-2-one
CID 160959042
6-chloro-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 160985688
N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 157329954
2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446509
N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-ethyl-1,2-oxazol-5-amine
CID 160548406
5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 158476722
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 159554030
6-[2-(aminomethyl)morpholin-4-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 118446776

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 146806385) is 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(N3CCNCC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)n[nH]1.
What is the InChIKey of 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is RZEVEWPVCHCTGG-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H25F2N7O/c1-3-4-15-11-21(32-31-15)28-20-13-22(33-7-5-27-6-8-33)30-24(29-20)34-19-12-18(25)16-9-14(2)10-17(16)23(19)26/h3-4,10-13,27H,5-9H2,1-2H3,(H2,28,29,30,31,32)/b4-3+.
What are the key properties of 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 465.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 146806385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).