N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine

C19H21FN6 — CID 95834230

IUPACN-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine
SMILESFc1ccc(Nc2ccc(C3CCN(Cc4ncc[nH]4)CC3)nc2)nc1
InChIInChI=1S/C19H21FN6/c20-15-1-4-18(24-11-15)25-16-2-3-17(23-12-16)14-5-9-26(10-6-14)13-19-21-7-8-22-19/h1-4,7-8,11-12,14H,5-6,9-10,13H2,(H,21,22)(H,24,25)
InChIKeyZMOJSGFIZPCMRS-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.46
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine

N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine (PubChem CID 95834230) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine
PubChem CID95834230
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine
SMILESFc1ccc(Nc2ccc(C3CCN(Cc4ncc[nH]4)CC3)nc2)nc1
InChIInChI=1S/C19H21FN6/c20-15-1-4-18(24-11-15)25-16-2-3-17(23-12-16)14-5-9-26(10-6-14)13-19-21-7-8-22-19/h1-4,7-8,11-12,14H,5-6,9-10,13H2,(H,21,22)(H,24,25)
InChIKeyZMOJSGFIZPCMRS-UHFFFAOYSA-N
XLogP3.46
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

SB-220025
CID 5164
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
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L-790070
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Ngd 94-1
CID 188942
VK-19911
CID 9797240
SB-242235
CID 9863367
FR-79620
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Bag-1
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Arpromidine
CID 65895
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine (CID 95834230) is N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine is Fc1ccc(Nc2ccc(C3CCN(Cc4ncc[nH]4)CC3)nc2)nc1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine?
The InChIKey is ZMOJSGFIZPCMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c20-15-1-4-18(24-11-15)25-16-2-3-17(23-12-16)14-5-9-26(10-6-14)13-19-21-7-8-22-19/h1-4,7-8,11-12,14H,5-6,9-10,13H2,(H,21,22)(H,24,25).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine?
N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine has a molecular weight of 352.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 95834230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).