N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine

C23H26FN5O — CID 171540297

IUPACN-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
SMILESFc1cc2ccccc2c(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)n1
InChIInChI=1S/C23H26FN5O/c24-21-14-17-4-1-2-6-20(17)23(27-21)29-9-3-5-18(16-29)26-22-15-19(7-8-25-22)28-10-12-30-13-11-28/h1-2,4,6-8,14-15,18H,3,5,9-13,16H2,(H,25,26)/t18-/m1/s1
InChIKeyHCTBHMNJXLWTOC-GOSISDBHSA-N
MW407.49 g/mol
LogP3.69
Rot. Bonds4

About N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine

N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 171540297) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID171540297
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC NameN-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
SMILESFc1cc2ccccc2c(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)n1
InChIInChI=1S/C23H26FN5O/c24-21-14-17-4-1-2-6-20(17)23(27-21)29-9-3-5-18(16-29)26-22-15-19(7-8-25-22)28-10-12-30-13-11-28/h1-2,4,6-8,14-15,18H,3,5,9-13,16H2,(H,25,26)/t18-/m1/s1
InChIKeyHCTBHMNJXLWTOC-GOSISDBHSA-N
XLogP3.69
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
CID 171540161
N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540040
4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540304
N-[(3R)-1-(2-chloro-4-methylsulfanylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171539774
4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540303
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid
CID 171540438
(E)-3-amino-N-(3-amino-3-oxopropyl)-2-methanimidoyl-3-naphthalen-1-ylprop-2-enamide;chlorobenzene;ethane;N-[1-(3-fluorophenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine;methanol
CID 176995941
2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902096
N-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
CID 172903852
6-morpholin-4-yl-N-[(3R)-1-[8-[3-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]quinolin-1-ium-1-yl]quinolin-6-yl]piperidin-3-yl]pyrimidin-4-amine
CID 171539242

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine (CID 171540297) is N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine is Fc1cc2ccccc2c(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)n1.
What is the InChIKey of N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is HCTBHMNJXLWTOC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26FN5O/c24-21-14-17-4-1-2-6-20(17)23(27-21)29-9-3-5-18(16-29)26-22-15-19(7-8-25-22)28-10-12-30-13-11-28/h1-2,4,6-8,14-15,18H,3,5,9-13,16H2,(H,25,26)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 407.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 171540297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).