6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine

C28H30ClF2N7 — CID 175764820

IUPAC6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine
SMILESCc1cc(Nc2nc(C[C@@H]3CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)c(-c3ncccn3)c2C)n[nH]1
InChIInChI=1S/C28H30ClF2N7/c1-16-12-23(37-36-16)35-27-18(3)24(28-32-9-5-10-33-28)26(31)22(34-27)14-19-8-11-38(17(2)13-19)15-20-6-4-7-21(29)25(20)30/h4-7,9-10,12,17,19H,8,11,13-15H2,1-3H3,(H2,34,35,36,37)/t17-,19-/m1/s1
InChIKeyQWFZCMNVTGOXMU-IEBWSBKVSA-N
MW538.05 g/mol
LogP6.40
Rot. Bonds7

About 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine

6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine (PubChem CID 175764820) has the molecular formula C28H30ClF2N7 and a molecular weight of 538.05 g/mol. Its IUPAC name is 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine
PubChem CID175764820
Molecular FormulaC28H30ClF2N7
Molecular Weight538.05 g/mol
Exact Mass537.22
IUPAC Name6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine
SMILESCc1cc(Nc2nc(C[C@@H]3CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)c(-c3ncccn3)c2C)n[nH]1
InChIInChI=1S/C28H30ClF2N7/c1-16-12-23(37-36-16)35-27-18(3)24(28-32-9-5-10-33-28)26(31)22(34-27)14-19-8-11-38(17(2)13-19)15-20-6-4-7-21(29)25(20)30/h4-7,9-10,12,17,19H,8,11,13-15H2,1-3H3,(H2,34,35,36,37)/t17-,19-/m1/s1
InChIKeyQWFZCMNVTGOXMU-IEBWSBKVSA-N
XLogP6.40
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.05
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]ethanone
CID 175764827
6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 175764845
4-chloro-6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 166678038
6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 166678029
[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate
CID 175223802
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 164812500
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[4-ethyl-3,5-difluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 164812719
1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 164812394
6-[(2-tert-butyl-3-methyl-1,5-dihydropyrazol-5-yl)amino]-2-[[(2R,4S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-3-fluoropyridine-4-carboxylic acid
CID 166677642
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 121333423
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(3-methyl-2-pyridinyl)-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 164812718
(2S,4S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl]piperidine-4-carboxylic acid
CID 164812363

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine?
The IUPAC name of 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine (CID 175764820) is 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine?
The canonical SMILES for 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine is Cc1cc(Nc2nc(C[C@@H]3CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)c(-c3ncccn3)c2C)n[nH]1.
What is the InChIKey of 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine?
The InChIKey is QWFZCMNVTGOXMU-IEBWSBKVSA-N. The full InChI is InChI=1S/C28H30ClF2N7/c1-16-12-23(37-36-16)35-27-18(3)24(28-32-9-5-10-33-28)26(31)22(34-27)14-19-8-11-38(17(2)13-19)15-20-6-4-7-21(29)25(20)30/h4-7,9-10,12,17,19H,8,11,13-15H2,1-3H3,(H2,34,35,36,37)/t17-,19-/m1/s1.
What are the key properties of 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine?
6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine has a molecular weight of 538.05 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidin-4-yl]methyl]-5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidin-2-ylpyridin-2-amine is sourced from PubChem (CID 175764820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).