4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide

C19H19FN4O2 — CID 167852771

IUPAC4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC[C@H]1C[C@H]1NC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C19H19FN4O2/c20-13-7-17(22-10-13)19(26)24-16-5-12(16)9-23-18(25)6-11-8-21-15-4-2-1-3-14(11)15/h1-4,7-8,10,12,16,21-22H,5-6,9H2,(H,23,25)(H,24,26)/t12-,16-/m1/s1
InChIKeyZQHYTYXELSOOIA-MLGOLLRUSA-N
MW354.38 g/mol
LogP2.11
Rot. Bonds6

About 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide

4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 167852771) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide
PubChem CID167852771
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC[C@H]1C[C@H]1NC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C19H19FN4O2/c20-13-7-17(22-10-13)19(26)24-16-5-12(16)9-23-18(25)6-11-8-21-15-4-2-1-3-14(11)15/h1-4,7-8,10,12,16,21-22H,5-6,9H2,(H,23,25)(H,24,26)/t12-,16-/m1/s1
InChIKeyZQHYTYXELSOOIA-MLGOLLRUSA-N
XLogP2.11
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

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N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
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N-(2-propylcyclopropyl)-1H-indole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide (CID 167852771) is 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide is O=C(Cc1c[nH]c2ccccc12)NC[C@H]1C[C@H]1NC(=O)c1cc(F)c[nH]1.
What is the InChIKey of 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZQHYTYXELSOOIA-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-13-7-17(22-10-13)19(26)24-16-5-12(16)9-23-18(25)6-11-8-21-15-4-2-1-3-14(11)15/h1-4,7-8,10,12,16,21-22H,5-6,9H2,(H,23,25)(H,24,26)/t12-,16-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide?
4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2R)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cyclopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167852771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).