1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone

C23H35N7O — CID 69071474

IUPAC1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone
SMILESCc1ncc(-c2ccnc(NC3CCN(C(=O)CC4CCNCC4)CC3)n2)n1C(C)C
InChIInChI=1S/C23H35N7O/c1-16(2)30-17(3)26-15-21(30)20-6-11-25-23(28-20)27-19-7-12-29(13-8-19)22(31)14-18-4-9-24-10-5-18/h6,11,15-16,18-19,24H,4-5,7-10,12-14H2,1-3H3,(H,25,27,28)
InChIKeyCCVBTQVGEBDDOF-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.02
Rot. Bonds6

About 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone

1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 69071474) has the molecular formula C23H35N7O and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone
PubChem CID69071474
Molecular FormulaC23H35N7O
Molecular Weight425.58 g/mol
Exact Mass425.29
IUPAC Name1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone
SMILESCc1ncc(-c2ccnc(NC3CCN(C(=O)CC4CCNCC4)CC3)n2)n1C(C)C
InChIInChI=1S/C23H35N7O/c1-16(2)30-17(3)26-15-21(30)20-6-11-25-23(28-20)27-19-7-12-29(13-8-19)22(31)14-18-4-9-24-10-5-18/h6,11,15-16,18-19,24H,4-5,7-10,12-14H2,1-3H3,(H,25,27,28)
InChIKeyCCVBTQVGEBDDOF-UHFFFAOYSA-N
XLogP3.02
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone (CID 69071474) is 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone is Cc1ncc(-c2ccnc(NC3CCN(C(=O)CC4CCNCC4)CC3)n2)n1C(C)C.
What is the InChIKey of 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is CCVBTQVGEBDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O/c1-16(2)30-17(3)26-15-21(30)20-6-11-25-23(28-20)27-19-7-12-29(13-8-19)22(31)14-18-4-9-24-10-5-18/h6,11,15-16,18-19,24H,4-5,7-10,12-14H2,1-3H3,(H,25,27,28).
What are the key properties of 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone?
1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 425.58 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 69071474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).