6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C23H29N7 — CID 23151635

IUPAC6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCCCCc1c(C)c(C#N)c2nc(-c3cccnc3)nn2c1N1CCCC1N(C)C
InChIInChI=1S/C23H29N7/c1-5-6-10-18-16(2)19(14-24)22-26-21(17-9-7-12-25-15-17)27-30(22)23(18)29-13-8-11-20(29)28(3)4/h7,9,12,15,20H,5-6,8,10-11,13H2,1-4H3
InChIKeyMKQYSBKTMSBOJN-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.80
Rot. Bonds6

About 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 23151635) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID23151635
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCCCCc1c(C)c(C#N)c2nc(-c3cccnc3)nn2c1N1CCCC1N(C)C
InChIInChI=1S/C23H29N7/c1-5-6-10-18-16(2)19(14-24)22-26-21(17-9-7-12-25-15-17)27-30(22)23(18)29-13-8-11-20(29)28(3)4/h7,9,12,15,20H,5-6,8,10-11,13H2,1-4H3
InChIKeyMKQYSBKTMSBOJN-UHFFFAOYSA-N
XLogP3.80
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 23151635) is 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is CCCCc1c(C)c(C#N)c2nc(-c3cccnc3)nn2c1N1CCCC1N(C)C.
What is the InChIKey of 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is MKQYSBKTMSBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-5-6-10-18-16(2)19(14-24)22-26-21(17-9-7-12-25-15-17)27-30(22)23(18)29-13-8-11-20(29)28(3)4/h7,9,12,15,20H,5-6,8,10-11,13H2,1-4H3.
What are the key properties of 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 403.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).