4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

C28H35N9O5S — CID 155375770

IUPAC4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C(=O)NC(C)C)CC3)nc2)n1
InChIInChI=1S/C28H35N9O5S/c1-4-42-24-17-29-16-21(33-24)19-5-8-23(31-15-19)35-25(38)28(10-13-37(14-11-28)27(39)32-18(2)3)22-9-12-30-26(34-22)36-43(40,41)20-6-7-20/h5,8-9,12,15-18,20H,4,6-7,10-11,13-14H2,1-3H3,(H,32,39)(H,30,34,36)(H,31,35,38)
InChIKeyTYZSWMGMXBWXAL-UHFFFAOYSA-N
MW609.71 g/mol
LogP2.72
Rot. Bonds10

About 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 155375770) has the molecular formula C28H35N9O5S and a molecular weight of 609.71 g/mol. Its IUPAC name is 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID155375770
Molecular FormulaC28H35N9O5S
Molecular Weight609.71 g/mol
Exact Mass609.25
IUPAC Name4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C(=O)NC(C)C)CC3)nc2)n1
InChIInChI=1S/C28H35N9O5S/c1-4-42-24-17-29-16-21(33-24)19-5-8-23(31-15-19)35-25(38)28(10-13-37(14-11-28)27(39)32-18(2)3)22-9-12-30-26(34-22)36-43(40,41)20-6-7-20/h5,8-9,12,15-18,20H,4,6-7,10-11,13-14H2,1-3H3,(H,32,39)(H,30,34,36)(H,31,35,38)
InChIKeyTYZSWMGMXBWXAL-UHFFFAOYSA-N
XLogP2.72
TPSA181.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.71
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 155375770) is 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C(=O)NC(C)C)CC3)nc2)n1.
What is the InChIKey of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is TYZSWMGMXBWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9O5S/c1-4-42-24-17-29-16-21(33-24)19-5-8-23(31-15-19)35-25(38)28(10-13-37(14-11-28)27(39)32-18(2)3)22-9-12-30-26(34-22)36-43(40,41)20-6-7-20/h5,8-9,12,15-18,20H,4,6-7,10-11,13-14H2,1-3H3,(H,32,39)(H,30,34,36)(H,31,35,38).
What are the key properties of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 609.71 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 155375770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).