6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C23H28FN7 — CID 155355862

IUPAC6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(N4CCNC[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C23H28FN7/c1-12(2)18-19-17(9-26-23(20(19)24)30-7-6-25-8-13(30)3)29-21(18)16-10-31-22(27-11-28-31)15(5)14(16)4/h9-13,25,29H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyRXPBJKMDGUFUQK-CYBMUJFWSA-N
MW421.52 g/mol
LogP3.95
Rot. Bonds3

About 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155355862) has the molecular formula C23H28FN7 and a molecular weight of 421.52 g/mol. Its IUPAC name is 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155355862
Molecular FormulaC23H28FN7
Molecular Weight421.52 g/mol
Exact Mass421.24
IUPAC Name6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(N4CCNC[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C23H28FN7/c1-12(2)18-19-17(9-26-23(20(19)24)30-7-6-25-8-13(30)3)29-21(18)16-10-31-22(27-11-28-31)15(5)14(16)4/h9-13,25,29H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyRXPBJKMDGUFUQK-CYBMUJFWSA-N
XLogP3.95
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155226177
6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155226444
6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155382086
6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155382109
6-[5-[(2S)-2-ethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138687023
7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 155226469
6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 155226106
4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane
CID 167674928
7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155161041
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265
5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-piperidin-3-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167217305
6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 155226196

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 155355862) is 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3cnc(N4CCNC[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RXPBJKMDGUFUQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H28FN7/c1-12(2)18-19-17(9-26-23(20(19)24)30-7-6-25-8-13(30)3)29-21(18)16-10-31-22(27-11-28-31)15(5)14(16)4/h9-13,25,29H,6-8H2,1-5H3/t13-/m1/s1.
What are the key properties of 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 421.52 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155355862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).