(3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine

C19H19FN6 — CID 155619690

IUPAC(3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine
SMILES[C-]#[N+]c1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3ccncc32)cc1
InChIInChI=1S/C19H19FN6/c1-22-14-4-2-13(3-5-14)11-26-18-10-23-8-6-17(18)24-19(26)25-9-7-15(20)16(21)12-25/h2-6,8,10,15-16H,7,9,11-12,21H2/t15-,16-/m1/s1
InChIKeyCAZZPIOCFOTSGC-HZPDHXFCSA-N
MW350.40 g/mol
LogP2.91
Rot. Bonds3

About (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine

(3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine (PubChem CID 155619690) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine
PubChem CID155619690
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name(3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine
SMILES[C-]#[N+]c1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3ccncc32)cc1
InChIInChI=1S/C19H19FN6/c1-22-14-4-2-13(3-5-14)11-26-18-10-23-8-6-17(18)24-19(26)25-9-7-15(20)16(21)12-25/h2-6,8,10,15-16H,7,9,11-12,21H2/t15-,16-/m1/s1
InChIKeyCAZZPIOCFOTSGC-HZPDHXFCSA-N
XLogP2.91
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine?
The IUPAC name of (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine (CID 155619690) is (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine?
The canonical SMILES for (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine is [C-]#[N+]c1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3ccncc32)cc1.
What is the InChIKey of (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine?
The InChIKey is CAZZPIOCFOTSGC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19FN6/c1-22-14-4-2-13(3-5-14)11-26-18-10-23-8-6-17(18)24-19(26)25-9-7-15(20)16(21)12-25/h2-6,8,10,15-16H,7,9,11-12,21H2/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine?
(3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine has a molecular weight of 350.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-1-[3-[(4-isocyanophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]piperidin-3-amine is sourced from PubChem (CID 155619690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).