N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C23H33N5O3 — CID 92629450

IUPACN-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2
InChIInChI=1S/C23H33N5O3/c1-15-18-12-20(30)28(14-17-8-4-3-5-9-17)23(18)26-22(25-15)19-10-6-7-11-27(19)21(31)13-24-16(2)29/h17,19H,3-14H2,1-2H3,(H,24,29)/t19-/m0/s1
InChIKeyQQXLGMRWZSTUBK-IBGZPJMESA-N
MW427.55 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 92629450) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID92629450
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2
InChIInChI=1S/C23H33N5O3/c1-15-18-12-20(30)28(14-17-8-4-3-5-9-17)23(18)26-22(25-15)19-10-6-7-11-27(19)21(31)13-24-16(2)29/h17,19H,3-14H2,1-2H3,(H,24,29)/t19-/m0/s1
InChIKeyQQXLGMRWZSTUBK-IBGZPJMESA-N
XLogP2.44
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 92629450) is N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2.
What is the InChIKey of N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is QQXLGMRWZSTUBK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H33N5O3/c1-15-18-12-20(30)28(14-17-8-4-3-5-9-17)23(18)26-22(25-15)19-10-6-7-11-27(19)21(31)13-24-16(2)29/h17,19H,3-14H2,1-2H3,(H,24,29)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[7-(cyclohexylmethyl)-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 92629450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).