4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine

C21H25FN4 — CID 171540303

IUPAC4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
SMILESFc1cccc(N2CCC[C@@H](Nc3cc(N4CC5CC5C4)ccn3)C2)c1
InChIInChI=1S/C21H25FN4/c22-17-3-1-5-19(10-17)25-8-2-4-18(14-25)24-21-11-20(6-7-23-21)26-12-15-9-16(15)13-26/h1,3,5-7,10-11,15-16,18H,2,4,8-9,12-14H2,(H,23,24)/t15?,16?,18-/m1/s1
InChIKeyURIVQVUXDUFTNQ-LEOMRAHMSA-N
MW352.46 g/mol
LogP3.76
Rot. Bonds4

About 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine

4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine (PubChem CID 171540303) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
PubChem CID171540303
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
SMILESFc1cccc(N2CCC[C@@H](Nc3cc(N4CC5CC5C4)ccn3)C2)c1
InChIInChI=1S/C21H25FN4/c22-17-3-1-5-19(10-17)25-8-2-4-18(14-25)24-21-11-20(6-7-23-21)26-12-15-9-16(15)13-26/h1,3,5-7,10-11,15-16,18H,2,4,8-9,12-14H2,(H,23,24)/t15?,16?,18-/m1/s1
InChIKeyURIVQVUXDUFTNQ-LEOMRAHMSA-N
XLogP3.76
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540304
1-(3-fluorophenyl)-5-[[4-[3-[1-[2-[[1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]pyrrolidin-3-yl]pyrrolidin-1-yl]-2-pyridinyl]amino]piperidine-3-carboxamide
CID 171540106
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540040
1-[3-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one
CID 171539765
6-(4-ethylpiperazin-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyrimidin-4-amine
CID 171540065
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540297
[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]hydrazine
CID 130979615
3-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-5-piperidin-1-ylbenzonitrile
CID 171539572
1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid
CID 171540438
4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
CID 171540161

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine (CID 171540303) is 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine is Fc1cccc(N2CCC[C@@H](Nc3cc(N4CC5CC5C4)ccn3)C2)c1.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is URIVQVUXDUFTNQ-LEOMRAHMSA-N. The full InChI is InChI=1S/C21H25FN4/c22-17-3-1-5-19(10-17)25-8-2-4-18(14-25)24-21-11-20(6-7-23-21)26-12-15-9-16(15)13-26/h1,3,5-7,10-11,15-16,18H,2,4,8-9,12-14H2,(H,23,24)/t15?,16?,18-/m1/s1.
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine?
4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 352.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 171540303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).