N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H24N4O — CID 54673425

IUPACN-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C1CCCCC1
InChIInChI=1S/C18H24N4O/c1-11(12-5-3-2-4-6-12)21-18(23)14-9-19-17-16(14)22-15(10-20-17)13-7-8-13/h9-13H,2-8H2,1H3,(H,19,20)(H,21,23)/t11-/m0/s1
InChIKeyRAMKRKRPBSBNMP-NSHDSACASA-N
MW312.42 g/mol
LogP3.53
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54673425) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54673425
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C1CCCCC1
InChIInChI=1S/C18H24N4O/c1-11(12-5-3-2-4-6-12)21-18(23)14-9-19-17-16(14)22-15(10-20-17)13-7-8-13/h9-13H,2-8H2,1H3,(H,19,20)(H,21,23)/t11-/m0/s1
InChIKeyRAMKRKRPBSBNMP-NSHDSACASA-N
XLogP3.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54673425) is N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RAMKRKRPBSBNMP-NSHDSACASA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(12-5-3-2-4-6-12)21-18(23)14-9-19-17-16(14)22-15(10-20-17)13-7-8-13/h9-13H,2-8H2,1H3,(H,19,20)(H,21,23)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54673425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).