1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide

C25H26ClFN6O2 — CID 175604677

IUPAC1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(Nc3cc(-c4cc(Cl)ccc4F)nnc3OCCN3CCCC3)ccn2)CC1
InChIInChI=1S/C25H26ClFN6O2/c26-16-3-4-19(27)18(13-16)20-15-21(23(32-31-20)35-12-11-33-9-1-2-10-33)30-17-5-8-29-22(14-17)25(6-7-25)24(28)34/h3-5,8,13-15H,1-2,6-7,9-12H2,(H2,28,34)(H,29,30,31)
InChIKeyXGCBQNAESSGZGJ-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.07
Rot. Bonds9

About 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide

1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 175604677) has the molecular formula C25H26ClFN6O2 and a molecular weight of 496.97 g/mol. Its IUPAC name is 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID175604677
Molecular FormulaC25H26ClFN6O2
Molecular Weight496.97 g/mol
Exact Mass496.18
IUPAC Name1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(Nc3cc(-c4cc(Cl)ccc4F)nnc3OCCN3CCCC3)ccn2)CC1
InChIInChI=1S/C25H26ClFN6O2/c26-16-3-4-19(27)18(13-16)20-15-21(23(32-31-20)35-12-11-33-9-1-2-10-33)30-17-5-8-29-22(14-17)25(6-7-25)24(28)34/h3-5,8,13-15H,1-2,6-7,9-12H2,(H2,28,34)(H,29,30,31)
InChIKeyXGCBQNAESSGZGJ-UHFFFAOYSA-N
XLogP4.07
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

3-[4-[[6-(5-chloro-2-fluorophenyl)-3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methoxy]pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 175604715
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-yl]amino]-2-pyridinyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 163662237
4-[6-(5-chloro-2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridazin-4-yl]-3H-pyridine-2,4-diamine
CID 175604766
2-[4-[3-[[4-[[6-(5-chloro-2-fluorophenyl)-3-methylpyridazin-4-yl]amino]-2-pyridinyl]amino]-3-oxopropyl]piperazin-1-yl]ethyl-methylcarbamic acid
CID 174166396
tert-butyl 3-[6-(5-chloro-2-fluorophenyl)-4-[[2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-pyridinyl]amino]pyridazin-3-yl]azetidine-1-carboxylate
CID 168985230
3-[4-[[6-(5-chloro-2-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)sulfanylpyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 175604729
N-[4-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 171781499
3-[4-[[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]sulfanyl-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 175604671
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-[methyl-[(3-methyl-2,4-dioxooxolan-3-yl)methyl]amino]pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 175604641
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-1-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 67469558
4-[4-[[4-[[6-(5-chloro-2-fluorophenyl)-3-methylpyridazin-4-yl]amino]-2-pyridinyl]amino]-4-oxobutyl]piperazine-2-carboxylic acid
CID 175411676
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 175604677) is 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide is NC(=O)C1(c2cc(Nc3cc(-c4cc(Cl)ccc4F)nnc3OCCN3CCCC3)ccn2)CC1.
What is the InChIKey of 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is XGCBQNAESSGZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6O2/c26-16-3-4-19(27)18(13-16)20-15-21(23(32-31-20)35-12-11-33-9-1-2-10-33)30-17-5-8-29-22(14-17)25(6-7-25)24(28)34/h3-5,8,13-15H,1-2,6-7,9-12H2,(H2,28,34)(H,29,30,31).
What are the key properties of 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 496.97 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175604677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).