2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone

C25H34ClN5O2 — CID 161344761

IUPAC2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
SMILESC[C@@H]1CC[C@@H](C(=O)Cc2cc(-c3cncc(NC[C@@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CN1
InChIInChI=1S/C25H34ClN5O2/c1-16-4-5-18(12-28-16)23(32)9-19-8-20(21(26)13-29-19)22-14-27-15-24(31-22)30-11-17-6-7-33-25(2,3)10-17/h8,13-18,28H,4-7,9-12H2,1-3H3,(H,30,31)/t16-,17-,18-/m1/s1
InChIKeyVNDKVASKCOONBI-KZNAEPCWSA-N
MW472.03 g/mol
LogP4.31
Rot. Bonds7

About 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone

2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone (PubChem CID 161344761) has the molecular formula C25H34ClN5O2 and a molecular weight of 472.03 g/mol. Its IUPAC name is 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
PubChem CID161344761
Molecular FormulaC25H34ClN5O2
Molecular Weight472.03 g/mol
Exact Mass471.24
IUPAC Name2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
SMILESC[C@@H]1CC[C@@H](C(=O)Cc2cc(-c3cncc(NC[C@@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CN1
InChIInChI=1S/C25H34ClN5O2/c1-16-4-5-18(12-28-16)23(32)9-19-8-20(21(26)13-29-19)22-14-27-15-24(31-22)30-11-17-6-7-33-25(2,3)10-17/h8,13-18,28H,4-7,9-12H2,1-3H3,(H,30,31)/t16-,17-,18-/m1/s1
InChIKeyVNDKVASKCOONBI-KZNAEPCWSA-N
XLogP4.31
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.03
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[5-chloro-4-[3-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
CID 146866515
2-[4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
CID 58284653
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]ethanone
CID 58284809
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
CID 149306145
5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine
CID 58284620
(3R,5S)-N-[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]-5-(methoxymethyl)pyrrolidine-3-carboxamide
CID 50991132
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
6-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]methyl]-4-pyridinyl]-N-[(2,2-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 58127214
4-N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906393
1-[(3S)-1-acetylpiperidin-3-yl]-2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]ethanone
CID 58284652
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone?
The IUPAC name of 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone (CID 161344761) is 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone.
What is the SMILES notation for 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone?
The canonical SMILES for 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone is C[C@@H]1CC[C@@H](C(=O)Cc2cc(-c3cncc(NC[C@@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CN1.
What is the InChIKey of 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone?
The InChIKey is VNDKVASKCOONBI-KZNAEPCWSA-N. The full InChI is InChI=1S/C25H34ClN5O2/c1-16-4-5-18(12-28-16)23(32)9-19-8-20(21(26)13-29-19)22-14-27-15-24(31-22)30-11-17-6-7-33-25(2,3)10-17/h8,13-18,28H,4-7,9-12H2,1-3H3,(H,30,31)/t16-,17-,18-/m1/s1.
What are the key properties of 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone?
2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone has a molecular weight of 472.03 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone is sourced from PubChem (CID 161344761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).