cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone

C23H24FN5O2 — CID 155639621

IUPACcyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone
SMILESCc1cccnc1Nc1cc(Nc2ccc(C(C)(C)O)c(F)n2)ncc1C(=O)C1CC1
InChIInChI=1S/C23H24FN5O2/c1-13-5-4-10-25-22(13)27-17-11-19(26-12-15(17)20(30)14-6-7-14)28-18-9-8-16(21(24)29-18)23(2,3)31/h4-5,8-12,14,31H,6-7H2,1-3H3,(H2,25,26,27,28,29)
InChIKeyUZIVTHJGZVNNJA-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.63
Rot. Bonds7

About cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone

cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone (PubChem CID 155639621) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone
PubChem CID155639621
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Namecyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone
SMILESCc1cccnc1Nc1cc(Nc2ccc(C(C)(C)O)c(F)n2)ncc1C(=O)C1CC1
InChIInChI=1S/C23H24FN5O2/c1-13-5-4-10-25-22(13)27-17-11-19(26-12-15(17)20(30)14-6-7-14)28-18-9-8-16(21(24)29-18)23(2,3)31/h4-5,8-12,14,31H,6-7H2,1-3H3,(H2,25,26,27,28,29)
InChIKeyUZIVTHJGZVNNJA-UHFFFAOYSA-N
XLogP4.63
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone (CID 155639621) is cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone is Cc1cccnc1Nc1cc(Nc2ccc(C(C)(C)O)c(F)n2)ncc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The InChIKey is UZIVTHJGZVNNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-13-5-4-10-25-22(13)27-17-11-19(26-12-15(17)20(30)14-6-7-14)28-18-9-8-16(21(24)29-18)23(2,3)31/h4-5,8-12,14,31H,6-7H2,1-3H3,(H2,25,26,27,28,29).
What are the key properties of cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone has a molecular weight of 421.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 155639621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).