3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine

C17H15ClN6 — CID 168773462

IUPAC3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
SMILESClc1cnc2ccc(-c3c[nH]c4nc(CC5CCC5)ncc34)nn12
InChIInChI=1S/C17H15ClN6/c18-14-9-20-16-5-4-13(23-24(14)16)11-7-21-17-12(11)8-19-15(22-17)6-10-2-1-3-10/h4-5,7-10H,1-3,6H2,(H,19,21,22)
InChIKeyDBMNUCBMEZYTFQ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.66
Rot. Bonds3

About 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine

3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine (PubChem CID 168773462) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
PubChem CID168773462
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
SMILESClc1cnc2ccc(-c3c[nH]c4nc(CC5CCC5)ncc34)nn12
InChIInChI=1S/C17H15ClN6/c18-14-9-20-16-5-4-13(23-24(14)16)11-7-21-17-12(11)8-19-15(22-17)6-10-2-1-3-10/h4-5,7-10H,1-3,6H2,(H,19,21,22)
InChIKeyDBMNUCBMEZYTFQ-UHFFFAOYSA-N
XLogP3.66
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772247
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773475
5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772359
4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879516
5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773533
2-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 175879575
5-[3-(difluoromethyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 168774159
4-chloro-2-(cyclopentylmethyl)pyrimidine
CID 130646601
1-[2-[(5-imidazo[1,2-b]pyridazin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773684
3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 168772951
2-(2-azaspiro[3.3]heptan-6-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 170785098
4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879620

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine (CID 168773462) is 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine is Clc1cnc2ccc(-c3c[nH]c4nc(CC5CCC5)ncc34)nn12.
What is the InChIKey of 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
The InChIKey is DBMNUCBMEZYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c18-14-9-20-16-5-4-13(23-24(14)16)11-7-21-17-12(11)8-19-15(22-17)6-10-2-1-3-10/h4-5,7-10H,1-3,6H2,(H,19,21,22).
What are the key properties of 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine?
3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine has a molecular weight of 338.80 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 168773462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).