(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride

C14H20ClF2N5O — CID 120954788

IUPAC(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC(F)(F)CN1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H19F2N5O.ClH/c15-14(16)8-11(17-9-14)13(22)21-6-3-10(4-7-21)19-12-2-1-5-18-20-12;/h1-2,5,10-11,17H,3-4,6-9H2,(H,19,20);1H
InChIKeyBBLHQEMAYYGYCF-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.30
Rot. Bonds3

About (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride

(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120954788) has the molecular formula C14H20ClF2N5O and a molecular weight of 347.80 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID120954788
Molecular FormulaC14H20ClF2N5O
Molecular Weight347.80 g/mol
Exact Mass347.13
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC(F)(F)CN1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H19F2N5O.ClH/c15-14(16)8-11(17-9-14)13(22)21-6-3-10(4-7-21)19-12-2-1-5-18-20-12;/h1-2,5,10-11,17H,3-4,6-9H2,(H,19,20);1H
InChIKeyBBLHQEMAYYGYCF-UHFFFAOYSA-N
XLogP1.30
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95601738
N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride
CID 120955051
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95312317
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 122084290
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride (CID 120954788) is (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(C1CC(F)(F)CN1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is BBLHQEMAYYGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O.ClH/c15-14(16)8-11(17-9-14)13(22)21-6-3-10(4-7-21)19-12-2-1-5-18-20-12;/h1-2,5,10-11,17H,3-4,6-9H2,(H,19,20);1H.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride?
(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 347.80 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).