15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide

C32H34FN5O3 — CID 11238268

IUPAC15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn2c3c(c(NCCN4CCCC4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C32H34FN5O3/c33-25-19-23-29-31(28(25)34-9-15-36-11-3-4-12-36)41-27-18-22-8-2-1-7-21(22)17-26(27)38(29)20-24(30(23)39)32(40)35-10-16-37-13-5-6-14-37/h1-2,7-8,17-20,34H,3-6,9-16H2,(H,35,40)
InChIKeyLHUCCXAJRYYOIL-UHFFFAOYSA-N
MW555.65 g/mol
LogP4.72
Rot. Bonds8

About 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide

15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide (PubChem CID 11238268) has the molecular formula C32H34FN5O3 and a molecular weight of 555.65 g/mol. Its IUPAC name is 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.

Molecular Properties

Compound Name15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
PubChem CID11238268
Molecular FormulaC32H34FN5O3
Molecular Weight555.65 g/mol
Exact Mass555.26
IUPAC Name15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn2c3c(c(NCCN4CCCC4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C32H34FN5O3/c33-25-19-23-29-31(28(25)34-9-15-36-11-3-4-12-36)41-27-18-22-8-2-1-7-21(22)17-26(27)38(29)20-24(30(23)39)32(40)35-10-16-37-13-5-6-14-37/h1-2,7-8,17-20,34H,3-6,9-16H2,(H,35,40)
InChIKeyLHUCCXAJRYYOIL-UHFFFAOYSA-N
XLogP4.72
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.65
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The IUPAC name of 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide (CID 11238268) is 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.
What is the SMILES notation for 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The canonical SMILES for 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide is O=C(NCCN1CCCC1)c1cn2c3c(c(NCCN4CCCC4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.
What is the InChIKey of 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The InChIKey is LHUCCXAJRYYOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O3/c33-25-19-23-29-31(28(25)34-9-15-36-11-3-4-12-36)41-27-18-22-8-2-1-7-21(22)17-26(27)38(29)20-24(30(23)39)32(40)35-10-16-37-13-5-6-14-37/h1-2,7-8,17-20,34H,3-6,9-16H2,(H,35,40).
What are the key properties of 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide has a molecular weight of 555.65 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide is sourced from PubChem (CID 11238268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).