6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C27H33FN6O — CID 138687106

IUPAC6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N5CCC(F)C5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33FN6O/c1-16(2)24-25(18-12-23(35-3)27-29-15-30-34(27)13-18)32-22-9-8-21(31-26(22)24)17-4-6-20(7-5-17)33-11-10-19(28)14-33/h8-9,12-13,15-17,19-20,32H,4-7,10-11,14H2,1-3H3
InChIKeyAHRRVLMWZSFVJS-UHFFFAOYSA-N
MW476.60 g/mol
LogP5.47
Rot. Bonds5

About 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138687106) has the molecular formula C27H33FN6O and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138687106
Molecular FormulaC27H33FN6O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N5CCC(F)C5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33FN6O/c1-16(2)24-25(18-12-23(35-3)27-29-15-30-34(27)13-18)32-22-9-8-21(31-26(22)24)17-4-6-20(7-5-17)33-11-10-19(28)14-33/h8-9,12-13,15-17,19-20,32H,4-7,10-11,14H2,1-3H3
InChIKeyAHRRVLMWZSFVJS-UHFFFAOYSA-N
XLogP5.47
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 138687106) is 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(C4CCC(N5CCC(F)C5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AHRRVLMWZSFVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O/c1-16(2)24-25(18-12-23(35-3)27-29-15-30-34(27)13-18)32-22-9-8-21(31-26(22)24)17-4-6-20(7-5-17)33-11-10-19(28)14-33/h8-9,12-13,15-17,19-20,32H,4-7,10-11,14H2,1-3H3.
What are the key properties of 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 476.60 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(3-fluoropyrrolidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138687106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).