[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C20H22F3N5O2 — CID 126891093

IUPAC[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C20H22F3N5O2/c1-30-18-10-17(25-12-26-18)28(14-3-4-14)15-6-8-27(9-7-15)19(29)13-2-5-16(24-11-13)20(21,22)23/h2,5,10-12,14-15H,3-4,6-9H2,1H3
InChIKeySEZHUTDAPNVFIH-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.17
Rot. Bonds5

About [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 126891093) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID126891093
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1
InChIInChI=1S/C20H22F3N5O2/c1-30-18-10-17(25-12-26-18)28(14-3-4-14)15-6-8-27(9-7-15)19(29)13-2-5-16(24-11-13)20(21,22)23/h2,5,10-12,14-15H,3-4,6-9H2,1H3
InChIKeySEZHUTDAPNVFIH-UHFFFAOYSA-N
XLogP3.17
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
5-[[4-[(4-Methoxy-2-pyridinyl)amino]-1-piperidinyl]carbonyl]-2-pyridinecarbonitrile
CID 56659435
(3-Fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
US11377438, Example 143
CID 146525801
US11377438, Example 2
CID 146526012
1-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 53590520
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 53591983
6-ethoxy-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)nicotinamide
CID 91631393
(2,6-Dimethoxypyridin-3-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631567
N-{1-[2-Methyl-6-(trifluoromethyl)pyrimidin-4-YL]piperidin-4-YL}pyridine-3-carboxamide
CID 91892410
[2-(6-Methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97449621
[(3aR,6aS)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-3-ylmethanone
CID 97457864

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 126891093) is [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is COc1cc(N(C2CC2)C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)ncn1.
What is the InChIKey of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is SEZHUTDAPNVFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-30-18-10-17(25-12-26-18)28(14-3-4-14)15-6-8-27(9-7-15)19(29)13-2-5-16(24-11-13)20(21,22)23/h2,5,10-12,14-15H,3-4,6-9H2,1H3.
What are the key properties of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 421.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 126891093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).