10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide

C28H25FN4O4 — CID 58745077

IUPAC10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCC4CC4)c(F)cc3c1=O)Oc1cc(O)ccc1-2
InChIInChI=1S/C28H25FN4O4/c1-32(11-9-17-4-2-3-10-30-17)28(36)20-15-33-22-8-7-18(34)12-23(22)37-27-24(31-14-16-5-6-16)21(29)13-19(25(27)33)26(20)35/h2-4,7-8,10,12-13,15-16,31,34H,5-6,9,11,14H2,1H3
InChIKeyBWJAFDUZKARQHP-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.47
Rot. Bonds7

About 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide

10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide (PubChem CID 58745077) has the molecular formula C28H25FN4O4 and a molecular weight of 500.53 g/mol. Its IUPAC name is 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide.

Molecular Properties

Compound Name10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
PubChem CID58745077
Molecular FormulaC28H25FN4O4
Molecular Weight500.53 g/mol
Exact Mass500.19
IUPAC Name10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCC4CC4)c(F)cc3c1=O)Oc1cc(O)ccc1-2
InChIInChI=1S/C28H25FN4O4/c1-32(11-9-17-4-2-3-10-30-17)28(36)20-15-33-22-8-7-18(34)12-23(22)37-27-24(31-14-16-5-6-16)21(29)13-19(25(27)33)26(20)35/h2-4,7-8,10,12-13,15-16,31,34H,5-6,9,11,14H2,1H3
InChIKeyBWJAFDUZKARQHP-UHFFFAOYSA-N
XLogP4.47
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The IUPAC name of 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide (CID 58745077) is 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide.
What is the SMILES notation for 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The canonical SMILES for 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide is CN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCC4CC4)c(F)cc3c1=O)Oc1cc(O)ccc1-2.
What is the InChIKey of 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The InChIKey is BWJAFDUZKARQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O4/c1-32(11-9-17-4-2-3-10-30-17)28(36)20-15-33-22-8-7-18(34)12-23(22)37-27-24(31-14-16-5-6-16)21(29)13-19(25(27)33)26(20)35/h2-4,7-8,10,12-13,15-16,31,34H,5-6,9,11,14H2,1H3.
What are the key properties of 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethylamino)-11-fluoro-5-hydroxy-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide is sourced from PubChem (CID 58745077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).