1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide

C18H21N5O2 — CID 133065296

IUPAC1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide
SMILESCn1cnc(CN2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)c1
InChIInChI=1S/C18H21N5O2/c1-21-7-14(20-11-21)8-22-9-16(17(24)10-22)23-5-4-12-6-13(18(19)25)2-3-15(12)23/h2-7,11,16-17,24H,8-10H2,1H3,(H2,19,25)/t16-,17-/m1/s1
InChIKeyYYIAZOXIYDCXNP-IAGOWNOFSA-N
MW339.40 g/mol
LogP0.89
Rot. Bonds4

About 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide

1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide (PubChem CID 133065296) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide
PubChem CID133065296
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide
SMILESCn1cnc(CN2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)c1
InChIInChI=1S/C18H21N5O2/c1-21-7-14(20-11-21)8-22-9-16(17(24)10-22)23-5-4-12-6-13(18(19)25)2-3-15(12)23/h2-7,11,16-17,24H,8-10H2,1H3,(H2,19,25)/t16-,17-/m1/s1
InChIKeyYYIAZOXIYDCXNP-IAGOWNOFSA-N
XLogP0.89
TPSA89.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide (CID 133065296) is 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide is Cn1cnc(CN2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)c1.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide?
The InChIKey is YYIAZOXIYDCXNP-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-7-14(20-11-21)8-22-9-16(17(24)10-22)23-5-4-12-6-13(18(19)25)2-3-15(12)23/h2-7,11,16-17,24H,8-10H2,1H3,(H2,19,25)/t16-,17-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide?
1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]indole-5-carboxamide is sourced from PubChem (CID 133065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).