N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

C19H26ClFN4O — CID 51131386

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2cc(F)ccc21.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-13-17(19(23(2)22-13)24-7-9-25-10-8-24)12-21-18-6-3-14-11-15(20)4-5-16(14)18;/h4-5,11,18,21H,3,6-10,12H2,1-2H3;1H
InChIKeyKEJMRCKGMFTAEJ-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.90
Rot. Bonds4

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 51131386) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID51131386
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2cc(F)ccc21.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-13-17(19(23(2)22-13)24-7-9-25-10-8-24)12-21-18-6-3-14-11-15(20)4-5-16(14)18;/h4-5,11,18,21H,3,6-10,12H2,1-2H3;1H
InChIKeyKEJMRCKGMFTAEJ-UHFFFAOYSA-N
XLogP2.90
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 51131386) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cc1nn(C)c(N2CCOCC2)c1CNC1CCc2cc(F)ccc21.Cl.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is KEJMRCKGMFTAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O.ClH/c1-13-17(19(23(2)22-13)24-7-9-25-10-8-24)12-21-18-6-3-14-11-15(20)4-5-16(14)18;/h4-5,11,18,21H,3,6-10,12H2,1-2H3;1H.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 51131386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).