N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H26N6O2 — CID 118135053

IUPACN-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)NC1CCC(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
InChIInChI=1S/C19H26N6O2/c1-4-16(26)24-13-7-5-12(6-8-13)23-15-10-21-18-17(25-15)14(9-20-18)19(27)22-11(2)3/h4,9-13H,1,5-8H2,2-3H3,(H,20,21)(H,22,27)(H,23,25)(H,24,26)
InChIKeyBUXNDJJDALGMRT-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.12
Rot. Bonds6

About N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118135053) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118135053
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)NC1CCC(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1
InChIInChI=1S/C19H26N6O2/c1-4-16(26)24-13-7-5-12(6-8-13)23-15-10-21-18-17(25-15)14(9-20-18)19(27)22-11(2)3/h4,9-13H,1,5-8H2,2-3H3,(H,20,21)(H,22,27)(H,23,25)(H,24,26)
InChIKeyBUXNDJJDALGMRT-UHFFFAOYSA-N
XLogP2.12
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118135053) is N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)NC1CCC(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)CC1.
What is the InChIKey of N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BUXNDJJDALGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-16(26)24-13-7-5-12(6-8-13)23-15-10-21-18-17(25-15)14(9-20-18)19(27)22-11(2)3/h4,9-13H,1,5-8H2,2-3H3,(H,20,21)(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[4-(prop-2-enoylamino)cyclohexyl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118135053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).