5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid

C21H17N5O3 — CID 59558510

IUPAC5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NCC42CC2)c1
InChIInChI=1S/C21H17N5O3/c27-19-14-13-2-1-10-8-23-18(11-5-12(20(28)29)7-22-6-11)26-15(10)16(13)25-17(14)21(3-4-21)9-24-19/h5-8,25H,1-4,9H2,(H,24,27)(H,28,29)
InChIKeyANXYUJABZZWEHP-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.11
Rot. Bonds2

About 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid

5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid (PubChem CID 59558510) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid
PubChem CID59558510
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NCC42CC2)c1
InChIInChI=1S/C21H17N5O3/c27-19-14-13-2-1-10-8-23-18(11-5-12(20(28)29)7-22-6-11)26-15(10)16(13)25-17(14)21(3-4-21)9-24-19/h5-8,25H,1-4,9H2,(H,24,27)(H,28,29)
InChIKeyANXYUJABZZWEHP-UHFFFAOYSA-N
XLogP2.11
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-pyrimidin-5-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 59558634
3-fluoro-4-(4-methylphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 166461690
4-(6-morpholin-4-yl-3-pyridinyl)spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 59558395
2-[3-(methylamino)pyrrolidin-1-yl]-5-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)benzonitrile
CID 143745807
4-(2-fluorophenyl)-1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,4'-piperidine]-12-one
CID 56662943
3-fluoro-4-(3-fluorophenyl)-1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 138978963
4-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 89209008
1'-methyl-4-(4-propylphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 166461534
1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,6,11(16)-tetraene-15,3'-azetidine]-4,12-dione
CID 143745781
4-chlorospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one;4-(5-fluoro-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 159815317
8-[3-(1-aminocyclopropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66683656
8-[3-(1-aminocyclopropyl)-1-methylazetidin-3-yl]-2-[4-(2-morpholin-4-ylethoxy)phenyl]-6,9-dihydro-5H-pyrrolo[3,2-h]quinazoline-7-carboxylic acid
CID 66682665

Frequently Asked Questions

What is the IUPAC name of 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid (CID 59558510) is 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NCC42CC2)c1.
What is the InChIKey of 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid?
The InChIKey is ANXYUJABZZWEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c27-19-14-13-2-1-10-8-23-18(11-5-12(20(28)29)7-22-6-11)26-15(10)16(13)25-17(14)21(3-4-21)9-24-19/h5-8,25H,1-4,9H2,(H,24,27)(H,28,29).
What are the key properties of 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid?
5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid has a molecular weight of 387.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59558510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).