6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C24H29N7 — CID 138686353

IUPAC6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4CCNCC45CC5)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C24H29N7/c1-14(2)20-21(17-11-31-23(26-13-27-31)16(4)15(17)3)28-18-5-6-19(29-22(18)20)30-10-9-25-12-24(30)7-8-24/h5-6,11,13-14,25,28H,7-10,12H2,1-4H3
InChIKeyNASYELSLIXXPMS-UHFFFAOYSA-N
MW415.55 g/mol
LogP3.96
Rot. Bonds3

About 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686353) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686353
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4CCNCC45CC5)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C24H29N7/c1-14(2)20-21(17-11-31-23(26-13-27-31)16(4)15(17)3)28-18-5-6-19(29-22(18)20)30-10-9-25-12-24(30)7-8-24/h5-6,11,13-14,25,28H,7-10,12H2,1-4H3
InChIKeyNASYELSLIXXPMS-UHFFFAOYSA-N
XLogP3.96
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[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-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-(4,7-diazaspiro[2.5]octan-4-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 138686353) is 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3ccc(N4CCNCC45CC5)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NASYELSLIXXPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-14(2)20-21(17-11-31-23(26-13-27-31)16(4)15(17)3)28-18-5-6-19(29-22(18)20)30-10-9-25-12-24(30)7-8-24/h5-6,11,13-14,25,28H,7-10,12H2,1-4H3.
What are the key properties of 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 415.55 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).