N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine

C20H24FN7 — CID 118709848

IUPACN-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine
SMILESCc1nc(Nc2nc3cc(N4CCN(C)CC4)ncc3[nH]2)cc(C2CC2)c1F
InChIInChI=1S/C20H24FN7/c1-12-19(21)14(13-3-4-13)9-17(23-12)26-20-24-15-10-18(22-11-16(15)25-20)28-7-5-27(2)6-8-28/h9-11,13H,3-8H2,1-2H3,(H2,23,24,25,26)
InChIKeyYCNGNCARDVDXJO-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.17
Rot. Bonds4

About N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine

N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 118709848) has the molecular formula C20H24FN7 and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID118709848
Molecular FormulaC20H24FN7
Molecular Weight381.46 g/mol
Exact Mass381.21
IUPAC NameN-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine
SMILESCc1nc(Nc2nc3cc(N4CCN(C)CC4)ncc3[nH]2)cc(C2CC2)c1F
InChIInChI=1S/C20H24FN7/c1-12-19(21)14(13-3-4-13)9-17(23-12)26-20-24-15-10-18(22-11-16(15)25-20)28-7-5-27(2)6-8-28/h9-11,13H,3-8H2,1-2H3,(H2,23,24,25,26)
InChIKeyYCNGNCARDVDXJO-UHFFFAOYSA-N
XLogP3.17
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine (CID 118709848) is N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine is Cc1nc(Nc2nc3cc(N4CCN(C)CC4)ncc3[nH]2)cc(C2CC2)c1F.
What is the InChIKey of N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is YCNGNCARDVDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7/c1-12-19(21)14(13-3-4-13)9-17(23-12)26-20-24-15-10-18(22-11-16(15)25-20)28-7-5-27(2)6-8-28/h9-11,13H,3-8H2,1-2H3,(H2,23,24,25,26).
What are the key properties of N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine?
N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 381.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 118709848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).