3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine

C22H24FN9 — CID 177246177

IUPAC3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESCc1nc(-c2ncc[nH]2)ccc1N1CCN(Cc2ccnc(Nc3ncc[nH]3)c2F)CC1
InChIInChI=1S/C22H24FN9/c1-15-18(3-2-17(29-15)20-25-6-7-26-20)32-12-10-31(11-13-32)14-16-4-5-24-21(19(16)23)30-22-27-8-9-28-22/h2-9H,10-14H2,1H3,(H,25,26)(H2,24,27,28,30)
InChIKeyVXUYXLWAELYXBP-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.10
Rot. Bonds6

About 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine

3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 177246177) has the molecular formula C22H24FN9 and a molecular weight of 433.50 g/mol. Its IUPAC name is 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID177246177
Molecular FormulaC22H24FN9
Molecular Weight433.50 g/mol
Exact Mass433.21
IUPAC Name3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESCc1nc(-c2ncc[nH]2)ccc1N1CCN(Cc2ccnc(Nc3ncc[nH]3)c2F)CC1
InChIInChI=1S/C22H24FN9/c1-15-18(3-2-17(29-15)20-25-6-7-26-20)32-12-10-31(11-13-32)14-16-4-5-24-21(19(16)23)30-22-27-8-9-28-22/h2-9H,10-14H2,1H3,(H,25,26)(H2,24,27,28,30)
InChIKeyVXUYXLWAELYXBP-UHFFFAOYSA-N
XLogP3.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine (CID 177246177) is 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine is Cc1nc(-c2ncc[nH]2)ccc1N1CCN(Cc2ccnc(Nc3ncc[nH]3)c2F)CC1.
What is the InChIKey of 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is VXUYXLWAELYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN9/c1-15-18(3-2-17(29-15)20-25-6-7-26-20)32-12-10-31(11-13-32)14-16-4-5-24-21(19(16)23)30-22-27-8-9-28-22/h2-9H,10-14H2,1H3,(H,25,26)(H2,24,27,28,30).
What are the key properties of 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine?
3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 433.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 177246177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).