1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium

About 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium

1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium (PubChem CID 178147049) has the molecular formula C26H40FN9O4Y and a molecular weight of 650.57 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium.

Molecular Properties

Compound Name	1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium
PubChem CID	178147049
Molecular Formula	C26H40FN9O4Y
Molecular Weight	650.57 g/mol
Exact Mass	650.22
IUPAC Name	1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium
SMILES	CCOc1cnc(NC(=O)N(C)C2CN(c3nccc(NO)n3)CCC2F)cn1.OC1CCN(CC2CC2)CC1.[Y]
InChI	InChI=1S/C17H23FN8O3.C9H17NO.Y/c1-3-29-15-9-20-14(8-21-15)23-17(27)25(2)12-10-26(7-5-11(12)18)16-19-6-4-13(22-16)24-28;11-9-3-5-10(6-4-9)7-8-1-2-8;/h4,6,8-9,11-12,28H,3,5,7,10H2,1-2H3,(H,19,22,24)(H,20,23,27);8-9,11H,1-7H2;
InChIKey	KEZYMFQLXIQDLJ-UHFFFAOYSA-N
XLogP	2.40
TPSA	152.10 Å²
H-Bond Donors	4
H-Bond Acceptors	11
Rotatable Bonds	8
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.57
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium?

The IUPAC name of 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium (CID 178147049) is 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium.

What is the SMILES notation for 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium?

The canonical SMILES for 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium is CCOc1cnc(NC(=O)N(C)C2CN(c3nccc(NO)n3)CCC2F)cn1.OC1CCN(CC2CC2)CC1.[Y].

What is the InChIKey of 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium?

The InChIKey is KEZYMFQLXIQDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN8O3.C9H17NO.Y/c1-3-29-15-9-20-14(8-21-15)23-17(27)25(2)12-10-26(7-5-11(12)18)16-19-6-4-13(22-16)24-28;11-9-3-5-10(6-4-9)7-8-1-2-8;/h4,6,8-9,11-12,28H,3,5,7,10H2,1-2H3,(H,19,22,24)(H,20,23,27);8-9,11H,1-7H2;.

What are the key properties of 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium?

1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium has a molecular weight of 650.57 g/mol, XLogP of 2.40, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)piperidin-4-ol;3-(5-ethoxypyrazin-2-yl)-1-[4-fluoro-1-[4-(hydroxyamino)pyrimidin-2-yl]piperidin-3-yl]-1-methylurea;yttrium is sourced from PubChem (CID 178147049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).