3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide

C20H26N10O3 — CID 67756294

IUPAC3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)c1[nH]cc(NC(=O)c2[nH]cc(NC(=O)c3cc(N)nn3C)c2C)c1C
InChIInChI=1S/C20H26N10O3/c1-9-12(8-25-16(9)19(32)24-5-4-14(21)22)28-20(33)17-10(2)11(7-26-17)27-18(31)13-6-15(23)29-30(13)3/h6-8,25-26H,4-5H2,1-3H3,(H3,21,22)(H2,23,29)(H,24,32)(H,27,31)(H,28,33)
InChIKeyLYVVRDFYTWPHOY-UHFFFAOYSA-N
MW454.50 g/mol
LogP0.84
Rot. Bonds8

About 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide

3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 67756294) has the molecular formula C20H26N10O3 and a molecular weight of 454.50 g/mol. Its IUPAC name is 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID67756294
Molecular FormulaC20H26N10O3
Molecular Weight454.50 g/mol
Exact Mass454.22
IUPAC Name3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)c1[nH]cc(NC(=O)c2[nH]cc(NC(=O)c3cc(N)nn3C)c2C)c1C
InChIInChI=1S/C20H26N10O3/c1-9-12(8-25-16(9)19(32)24-5-4-14(21)22)28-20(33)17-10(2)11(7-26-17)27-18(31)13-6-15(23)29-30(13)3/h6-8,25-26H,4-5H2,1-3H3,(H3,21,22)(H2,23,29)(H,24,32)(H,27,31)(H,28,33)
InChIKeyLYVVRDFYTWPHOY-UHFFFAOYSA-N
XLogP0.84
TPSA212.59 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 50.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-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 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide (CID 67756294) is 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide is [H]/N=C(\N)CCNC(=O)c1[nH]cc(NC(=O)c2[nH]cc(NC(=O)c3cc(N)nn3C)c2C)c1C.
What is the InChIKey of 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is LYVVRDFYTWPHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N10O3/c1-9-12(8-25-16(9)19(32)24-5-4-14(21)22)28-20(33)17-10(2)11(7-26-17)27-18(31)13-6-15(23)29-30(13)3/h6-8,25-26H,4-5H2,1-3H3,(H3,21,22)(H2,23,29)(H,24,32)(H,27,31)(H,28,33).
What are the key properties of 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide?
3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 0.84, 8 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 67756294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).