1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29N5O2 — CID 72929751

IUPAC1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1cnn3c1CCCC3)CCN2C
InChIInChI=1S/C19H29N5O2/c1-21-10-8-19(7-6-17(21)25)14-23(12-11-22(19)2)18(26)15-13-20-24-9-4-3-5-16(15)24/h13H,3-12,14H2,1-2H3
InChIKeyINPJNSIDIDSFNC-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.99
Rot. Bonds1

About 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72929751) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72929751
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(C(=O)c1cnn3c1CCCC3)CCN2C
InChIInChI=1S/C19H29N5O2/c1-21-10-8-19(7-6-17(21)25)14-23(12-11-22(19)2)18(26)15-13-20-24-9-4-3-5-16(15)24/h13H,3-12,14H2,1-2H3
InChIKeyINPJNSIDIDSFNC-UHFFFAOYSA-N
XLogP0.99
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72929751) is 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(C(=O)c1cnn3c1CCCC3)CCN2C.
What is the InChIKey of 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is INPJNSIDIDSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-21-10-8-19(7-6-17(21)25)14-23(12-11-22(19)2)18(26)15-13-20-24-9-4-3-5-16(15)24/h13H,3-12,14H2,1-2H3.
What are the key properties of 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.47 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72929751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).