6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine

C25H27ClF3N7O — CID 146625082

IUPAC6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN1C[C@H]2C[C@H]2[C@H]1COc1nc(N2CCNCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H27ClF3N7O/c1-35-11-13-8-14(13)20(35)12-37-24-32-19-10-15(22-17(25(27,28)29)2-3-21(30)33-22)18(26)9-16(19)23(34-24)36-6-4-31-5-7-36/h2-3,9-10,13-14,20,31H,4-8,11-12H2,1H3,(H2,30,33)/t13-,14-,20-/m1/s1
InChIKeyAZONRQDVHQFOEF-ARGWCVDVSA-N
MW533.99 g/mol
LogP3.68
Rot. Bonds5

About 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine

6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 146625082) has the molecular formula C25H27ClF3N7O and a molecular weight of 533.99 g/mol. Its IUPAC name is 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID146625082
Molecular FormulaC25H27ClF3N7O
Molecular Weight533.99 g/mol
Exact Mass533.19
IUPAC Name6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN1C[C@H]2C[C@H]2[C@H]1COc1nc(N2CCNCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H27ClF3N7O/c1-35-11-13-8-14(13)20(35)12-37-24-32-19-10-15(22-17(25(27,28)29)2-3-21(30)33-22)18(26)9-16(19)23(34-24)36-6-4-31-5-7-36/h2-3,9-10,13-14,20,31H,4-8,11-12H2,1H3,(H2,30,33)/t13-,14-,20-/m1/s1
InChIKeyAZONRQDVHQFOEF-ARGWCVDVSA-N
XLogP3.68
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.99
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylazetidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2R)-1-methylazetidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 158578594
6-[6-chloro-2-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 148851754
prop-2-enoyl 4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[5-(methoxymethyl)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate
CID 175085382
1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[(1,2,4-trimethylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 163577214
6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146624860
tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-(difluoromethoxy)-1-methylpyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate
CID 158794584
1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[1-(dimethylamino)cyclopropyl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 163521607
tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-methoxy-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate
CID 159790554
tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate
CID 146625110
1-[(2S)-4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-2-isocyanopiperazin-1-yl]-2-fluoroprop-2-en-1-one;1-[(2R)-4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-2-isocyanopiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 159426323
tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate
CID 146625046
tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S,4R)-4-methoxy-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate
CID 146624943

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 146625082) is 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine is CN1C[C@H]2C[C@H]2[C@H]1COc1nc(N2CCNCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1.
What is the InChIKey of 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AZONRQDVHQFOEF-ARGWCVDVSA-N. The full InChI is InChI=1S/C25H27ClF3N7O/c1-35-11-13-8-14(13)20(35)12-37-24-32-19-10-15(22-17(25(27,28)29)2-3-21(30)33-22)18(26)9-16(19)23(34-24)36-6-4-31-5-7-36/h2-3,9-10,13-14,20,31H,4-8,11-12H2,1H3,(H2,30,33)/t13-,14-,20-/m1/s1.
What are the key properties of 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?
6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 533.99 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-2-[[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-4-piperazin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146625082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).