N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C22H25N9OS — CID 59233234

IUPACN-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCNC1CCC(Nc2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)C1
InChIInChI=1S/C22H25N9OS/c1-23-14-4-5-15(10-14)24-16-6-7-19-27-28-22(30(19)11-16)33-20-9-8-18-25-17(12-31(18)29-20)26-21(32)13-2-3-13/h6-9,11-15,23-24H,2-5,10H2,1H3,(H,26,32)
InChIKeyAJVIWMMNRSBEJM-UHFFFAOYSA-N
MW463.57 g/mol
LogP2.82
Rot. Bonds7

About N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233234) has the molecular formula C22H25N9OS and a molecular weight of 463.57 g/mol. Its IUPAC name is N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233234
Molecular FormulaC22H25N9OS
Molecular Weight463.57 g/mol
Exact Mass463.19
IUPAC NameN-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCNC1CCC(Nc2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)C1
InChIInChI=1S/C22H25N9OS/c1-23-14-4-5-15(10-14)24-16-6-7-19-27-28-22(30(19)11-16)33-20-9-8-18-25-17(12-31(18)29-20)26-21(32)13-2-3-13/h6-9,11-15,23-24H,2-5,10H2,1H3,(H,26,32)
InChIKeyAJVIWMMNRSBEJM-UHFFFAOYSA-N
XLogP2.82
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233234) is N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CNC1CCC(Nc2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)C1.
What is the InChIKey of N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is AJVIWMMNRSBEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9OS/c1-23-14-4-5-15(10-14)24-16-6-7-19-27-28-22(30(19)11-16)33-20-9-8-18-25-17(12-31(18)29-20)26-21(32)13-2-3-13/h6-9,11-15,23-24H,2-5,10H2,1H3,(H,26,32).
What are the key properties of N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 463.57 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).