1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione

C25H35N5O2 — CID 177065367

IUPAC1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
SMILESCc1ncc(N2CCC(=O)NC2=O)c2ccn(C3CCN(CCC4CCCCC4)CC3)c12
InChIInChI=1S/C25H35N5O2/c1-18-24-21(22(17-26-18)30-16-11-23(31)27-25(30)32)10-15-29(24)20-8-13-28(14-9-20)12-7-19-5-3-2-4-6-19/h10,15,17,19-20H,2-9,11-14,16H2,1H3,(H,27,31,32)
InChIKeyZKXRIEKTTPUQPG-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.40
Rot. Bonds5

About 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione

1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 177065367) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
PubChem CID177065367
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione
SMILESCc1ncc(N2CCC(=O)NC2=O)c2ccn(C3CCN(CCC4CCCCC4)CC3)c12
InChIInChI=1S/C25H35N5O2/c1-18-24-21(22(17-26-18)30-16-11-23(31)27-25(30)32)10-15-29(24)20-8-13-28(14-9-20)12-7-19-5-3-2-4-6-19/h10,15,17,19-20H,2-9,11-14,16H2,1H3,(H,27,31,32)
InChIKeyZKXRIEKTTPUQPG-UHFFFAOYSA-N
XLogP4.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione (CID 177065367) is 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione is Cc1ncc(N2CCC(=O)NC2=O)c2ccn(C3CCN(CCC4CCCCC4)CC3)c12.
What is the InChIKey of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZKXRIEKTTPUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-18-24-21(22(17-26-18)30-16-11-23(31)27-25(30)32)10-15-29(24)20-8-13-28(14-9-20)12-7-19-5-3-2-4-6-19/h10,15,17,19-20H,2-9,11-14,16H2,1H3,(H,27,31,32).
What are the key properties of 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione?
1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 437.59 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-cyclohexylethyl)piperidin-4-yl]-7-methylpyrrolo[2,3-c]pyridin-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177065367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).