5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C16H13ClFN7 — CID 168773475

IUPAC5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFC1(CNc2ncc3c(-c4ccc5ncc(Cl)n5n4)c[nH]c3n2)CC1
InChIInChI=1S/C16H13ClFN7/c17-12-7-19-13-2-1-11(24-25(12)13)9-5-20-14-10(9)6-21-15(23-14)22-8-16(18)3-4-16/h1-2,5-7H,3-4,8H2,(H2,20,21,22,23)
InChIKeyJOBHLZKFEWUXBP-UHFFFAOYSA-N
MW357.78 g/mol
LogP3.23
Rot. Bonds4

About 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773475) has the molecular formula C16H13ClFN7 and a molecular weight of 357.78 g/mol. Its IUPAC name is 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773475
Molecular FormulaC16H13ClFN7
Molecular Weight357.78 g/mol
Exact Mass357.09
IUPAC Name5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFC1(CNc2ncc3c(-c4ccc5ncc(Cl)n5n4)c[nH]c3n2)CC1
InChIInChI=1S/C16H13ClFN7/c17-12-7-19-13-2-1-11(24-25(12)13)9-5-20-14-10(9)6-21-15(23-14)22-8-16(18)3-4-16/h1-2,5-7H,3-4,8H2,(H2,20,21,22,23)
InChIKeyJOBHLZKFEWUXBP-UHFFFAOYSA-N
XLogP3.23
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879516
3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 168773462
5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774235
5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772359
N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773885
N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774152
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
N-[(1-methylcyclopropyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774035
N-(4,4-difluorocyclohexyl)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773223
N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773337
5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773324

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773475) is 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is FC1(CNc2ncc3c(-c4ccc5ncc(Cl)n5n4)c[nH]c3n2)CC1.
What is the InChIKey of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JOBHLZKFEWUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN7/c17-12-7-19-13-2-1-11(24-25(12)13)9-5-20-14-10(9)6-21-15(23-14)22-8-16(18)3-4-16/h1-2,5-7H,3-4,8H2,(H2,20,21,22,23).
What are the key properties of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 357.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).