3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide

C18H23N9O — CID 127976846

IUPAC3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2n(n1)CC(NC(=O)N1CCC(Nc3ccc4nccn4n3)C1)CC2
InChIInChI=1S/C18H23N9O/c1-12-20-17-4-2-13(11-27(17)23-12)22-18(28)25-8-6-14(10-25)21-15-3-5-16-19-7-9-26(16)24-15/h3,5,7,9,13-14H,2,4,6,8,10-11H2,1H3,(H,21,24)(H,22,28)
InChIKeySAOQOUUYBMIXHE-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.84
Rot. Bonds3

About 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide

3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide (PubChem CID 127976846) has the molecular formula C18H23N9O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide
PubChem CID127976846
Molecular FormulaC18H23N9O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC Name3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2n(n1)CC(NC(=O)N1CCC(Nc3ccc4nccn4n3)C1)CC2
InChIInChI=1S/C18H23N9O/c1-12-20-17-4-2-13(11-27(17)23-12)22-18(28)25-8-6-14(10-25)21-15-3-5-16-19-7-9-26(16)24-15/h3,5,7,9,13-14H,2,4,6,8,10-11H2,1H3,(H,21,24)(H,22,28)
InChIKeySAOQOUUYBMIXHE-UHFFFAOYSA-N
XLogP0.84
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide (CID 127976846) is 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide is Cc1nc2n(n1)CC(NC(=O)N1CCC(Nc3ccc4nccn4n3)C1)CC2.
What is the InChIKey of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is SAOQOUUYBMIXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O/c1-12-20-17-4-2-13(11-27(17)23-12)22-18(28)25-8-6-14(10-25)21-15-3-5-16-19-7-9-26(16)24-15/h3,5,7,9,13-14H,2,4,6,8,10-11H2,1H3,(H,21,24)(H,22,28).
What are the key properties of 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide?
3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127976846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).