[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C22H21N7O — CID 97362352

IUPAC[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1
InChIInChI=1S/C22H21N7O/c30-22(19-14-23-10-11-24-19)28-12-8-16(9-13-28)21-26-20-7-6-18(15-29(20)27-21)25-17-4-2-1-3-5-17/h1-7,10-11,14-16,25H,8-9,12-13H2
InChIKeyCPRHKKDXAHVHEK-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.28
Rot. Bonds4

About [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 97362352) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID97362352
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1
InChIInChI=1S/C22H21N7O/c30-22(19-14-23-10-11-24-19)28-12-8-16(9-13-28)21-26-20-7-6-18(15-29(20)27-21)25-17-4-2-1-3-5-17/h1-7,10-11,14-16,25H,8-9,12-13H2
InChIKeyCPRHKKDXAHVHEK-UHFFFAOYSA-N
XLogP3.28
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 97447825
[4-[6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362233
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155833117
[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone
CID 97447816
[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827684
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155829351
[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837546
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
pyridin-3-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849998
furan-2-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841042
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 87053040
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441

Frequently Asked Questions

What is the IUPAC name of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 97362352) is [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1.
What is the InChIKey of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CPRHKKDXAHVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(19-14-23-10-11-24-19)28-12-8-16(9-13-28)21-26-20-7-6-18(15-29(20)27-21)25-17-4-2-1-3-5-17/h1-7,10-11,14-16,25H,8-9,12-13H2.
What are the key properties of [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 399.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97362352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).