(3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride

C19H20Cl2F3N5 — CID 175485529

IUPAC(3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride
SMILESCC(c1ccc(Cl)cn1)n1c(N2CCC(F)[C@H](N)C2)nc2cc(F)c(F)cc21.Cl
InChIInChI=1S/C19H19ClF3N5.ClH/c1-10(16-3-2-11(20)8-25-16)28-18-7-14(23)13(22)6-17(18)26-19(28)27-5-4-12(21)15(24)9-27;/h2-3,6-8,10,12,15H,4-5,9,24H2,1H3;1H/t10?,12?,15-;/m1./s1
InChIKeyOUCOLANUQMACPZ-DQTYIOSOSA-N
MW446.30 g/mol
LogP4.27
Rot. Bonds3

About (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride

(3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride (PubChem CID 175485529) has the molecular formula C19H20Cl2F3N5 and a molecular weight of 446.30 g/mol. Its IUPAC name is (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride
PubChem CID175485529
Molecular FormulaC19H20Cl2F3N5
Molecular Weight446.30 g/mol
Exact Mass445.10
IUPAC Name(3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride
SMILESCC(c1ccc(Cl)cn1)n1c(N2CCC(F)[C@H](N)C2)nc2cc(F)c(F)cc21.Cl
InChIInChI=1S/C19H19ClF3N5.ClH/c1-10(16-3-2-11(20)8-25-16)28-18-7-14(23)13(22)6-17(18)26-19(28)27-5-4-12(21)15(24)9-27;/h2-3,6-8,10,12,15H,4-5,9,24H2,1H3;1H/t10?,12?,15-;/m1./s1
InChIKeyOUCOLANUQMACPZ-DQTYIOSOSA-N
XLogP4.27
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride with MolForge

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Related Compounds

Falnidamol
CID 6918508
Cgp74514A
CID 2794188
IRAK4 inhibitor rac-45
CID 25169383
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
CID 5327151
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
Gsk1331258
CID 46190877
Bibx 1382 dihydrochloride
CID 46861540
6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyridin-2-amine
CID 25169384
6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyridin-2-amine
CID 44449050

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride (CID 175485529) is (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride is CC(c1ccc(Cl)cn1)n1c(N2CCC(F)[C@H](N)C2)nc2cc(F)c(F)cc21.Cl.
What is the InChIKey of (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride?
The InChIKey is OUCOLANUQMACPZ-DQTYIOSOSA-N. The full InChI is InChI=1S/C19H19ClF3N5.ClH/c1-10(16-3-2-11(20)8-25-16)28-18-7-14(23)13(22)6-17(18)26-19(28)27-5-4-12(21)15(24)9-27;/h2-3,6-8,10,12,15H,4-5,9,24H2,1H3;1H/t10?,12?,15-;/m1./s1.
What are the key properties of (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride?
(3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride has a molecular weight of 446.30 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[1-(5-chloro-2-pyridinyl)ethyl]-5,6-difluorobenzimidazol-2-yl]-4-fluoropiperidin-3-amine;hydrochloride is sourced from PubChem (CID 175485529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).