5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine

C18H18BrFN6 — CID 176596218

IUPAC5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine
SMILESF[C@H]1CCN(c2ccc(-c3cc(CNc4cncc(Br)c4)[nH]n3)cn2)C1
InChIInChI=1S/C18H18BrFN6/c19-13-5-15(9-21-8-13)22-10-16-6-17(25-24-16)12-1-2-18(23-7-12)26-4-3-14(20)11-26/h1-2,5-9,14,22H,3-4,10-11H2,(H,24,25)/t14-/m0/s1
InChIKeyRCDRMUDVURPAII-AWEZNQCLSA-N
MW417.29 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine

5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine (PubChem CID 176596218) has the molecular formula C18H18BrFN6 and a molecular weight of 417.29 g/mol. Its IUPAC name is 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine
PubChem CID176596218
Molecular FormulaC18H18BrFN6
Molecular Weight417.29 g/mol
Exact Mass416.08
IUPAC Name5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine
SMILESF[C@H]1CCN(c2ccc(-c3cc(CNc4cncc(Br)c4)[nH]n3)cn2)C1
InChIInChI=1S/C18H18BrFN6/c19-13-5-15(9-21-8-13)22-10-16-6-17(25-24-16)12-1-2-18(23-7-12)26-4-3-14(20)11-26/h1-2,5-9,14,22H,3-4,10-11H2,(H,24,25)/t14-/m0/s1
InChIKeyRCDRMUDVURPAII-AWEZNQCLSA-N
XLogP3.79
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
CID 133317555
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62112031
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
CID 158969023
N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
CID 146241785
1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 141323464
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
CID 171545627
2-bromo-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63046580

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine (CID 176596218) is 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine is F[C@H]1CCN(c2ccc(-c3cc(CNc4cncc(Br)c4)[nH]n3)cn2)C1.
What is the InChIKey of 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine?
The InChIKey is RCDRMUDVURPAII-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18BrFN6/c19-13-5-15(9-21-8-13)22-10-16-6-17(25-24-16)12-1-2-18(23-7-12)26-4-3-14(20)11-26/h1-2,5-9,14,22H,3-4,10-11H2,(H,24,25)/t14-/m0/s1.
What are the key properties of 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine?
5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine has a molecular weight of 417.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 176596218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).