6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H20ClF2N7 — CID 58398070

IUPAC6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cc(Cl)cn4n3)CC2)cnn1
InChIInChI=1S/C22H20ClF2N7/c1-13-8-17(11-26-29-13)31-6-4-16(5-7-31)27-22-28-21-18(10-15(23)12-32(21)30-22)14-2-3-19(24)20(25)9-14/h2-3,8-12,16H,4-7H2,1H3,(H,27,30)
InChIKeyNPEOWVRPRVVFIO-UHFFFAOYSA-N
MW455.90 g/mol
LogP4.51
Rot. Bonds4

About 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398070) has the molecular formula C22H20ClF2N7 and a molecular weight of 455.90 g/mol. Its IUPAC name is 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398070
Molecular FormulaC22H20ClF2N7
Molecular Weight455.90 g/mol
Exact Mass455.14
IUPAC Name6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cc(Cl)cn4n3)CC2)cnn1
InChIInChI=1S/C22H20ClF2N7/c1-13-8-17(11-26-29-13)31-6-4-16(5-7-31)27-22-28-21-18(10-15(23)12-32(21)30-22)14-2-3-19(24)20(25)9-14/h2-3,8-12,16H,4-7H2,1H3,(H,27,30)
InChIKeyNPEOWVRPRVVFIO-UHFFFAOYSA-N
XLogP4.51
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398070) is 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cc(Cl)cn4n3)CC2)cnn1.
What is the InChIKey of 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NPEOWVRPRVVFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N7/c1-13-8-17(11-26-29-13)31-6-4-16(5-7-31)27-22-28-21-18(10-15(23)12-32(21)30-22)14-2-3-19(24)20(25)9-14/h2-3,8-12,16H,4-7H2,1H3,(H,27,30).
What are the key properties of 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 455.90 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3,4-difluorophenyl)-N-[1-(6-methylpyridazin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).