methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate

C16H17N5O3 — CID 167865415

IUPACmethyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2n[nH]c(C)c2C)cc2[nH]ccc12
InChIInChI=1S/C16H17N5O3/c1-8-9(2)20-21-14(8)19-16(23)18-10-6-12(15(22)24-3)11-4-5-17-13(11)7-10/h4-7,17H,1-3H3,(H3,18,19,20,21,23)
InChIKeyKONBERYTPZHQOC-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.94
Rot. Bonds3

About methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate

methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate (PubChem CID 167865415) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate
PubChem CID167865415
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Namemethyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2n[nH]c(C)c2C)cc2[nH]ccc12
InChIInChI=1S/C16H17N5O3/c1-8-9(2)20-21-14(8)19-16(23)18-10-6-12(15(22)24-3)11-4-5-17-13(11)7-10/h4-7,17H,1-3H3,(H3,18,19,20,21,23)
InChIKeyKONBERYTPZHQOC-UHFFFAOYSA-N
XLogP2.94
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate?
The IUPAC name of methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate (CID 167865415) is methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate?
The canonical SMILES for methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate is COC(=O)c1cc(NC(=O)Nc2n[nH]c(C)c2C)cc2[nH]ccc12.
What is the InChIKey of methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate?
The InChIKey is KONBERYTPZHQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-8-9(2)20-21-14(8)19-16(23)18-10-6-12(15(22)24-3)11-4-5-17-13(11)7-10/h4-7,17H,1-3H3,(H3,18,19,20,21,23).
What are the key properties of methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate?
methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate is sourced from PubChem (CID 167865415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).