2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine

C25H28N4O2 — CID 92615747

IUPAC2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
SMILESCOc1ccc2c(c1)C=C(CN1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2
InChIInChI=1S/C25H28N4O2/c1-28-15-22(13-27-28)19-5-7-24(26-12-19)20-4-3-9-29(16-20)14-18-10-21-11-23(30-2)6-8-25(21)31-17-18/h5-8,10-13,15,20H,3-4,9,14,16-17H2,1-2H3/t20-/m0/s1
InChIKeyVNNVJIKMUVUHCS-FQEVSTJZSA-N
MW416.53 g/mol
LogP4.15
Rot. Bonds5

About 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine

2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine (PubChem CID 92615747) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
PubChem CID92615747
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
SMILESCOc1ccc2c(c1)C=C(CN1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2
InChIInChI=1S/C25H28N4O2/c1-28-15-22(13-27-28)19-5-7-24(26-12-19)20-4-3-9-29(16-20)14-18-10-21-11-23(30-2)6-8-25(21)31-17-18/h5-8,10-13,15,20H,3-4,9,14,16-17H2,1-2H3/t20-/m0/s1
InChIKeyVNNVJIKMUVUHCS-FQEVSTJZSA-N
XLogP4.15
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine
CID 132778350
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 45169153
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
N-[(R)-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551899
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124975870
N-(1,5-dimethylpyrazol-3-yl)-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 127249768
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99932443
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139598716
2-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98677545
[2-[2-(dimethylamino)ethoxy]phenyl]-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 92615923
(3aR,5R,6R,7aS)-2-[(6-methoxy-2H-chromen-3-yl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172657224

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine (CID 92615747) is 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine is COc1ccc2c(c1)C=C(CN1CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C1)CO2.
What is the InChIKey of 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is VNNVJIKMUVUHCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-28-15-22(13-27-28)19-5-7-24(26-12-19)20-4-3-9-29(16-20)14-18-10-21-11-23(30-2)6-8-25(21)31-17-18/h5-8,10-13,15,20H,3-4,9,14,16-17H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine?
2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 416.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 92615747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).