6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

C30H32FN7O2 — CID 135275122

IUPAC6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
SMILESCN(CC1CCNCC1)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CNC3=O)c3cc(F)cc(c32)C1
InChIInChI=1S/C30H32FN7O2/c1-35(16-19-5-7-32-8-6-19)30(40)37-11-10-36-18-24(22-13-21(31)12-20(17-37)28(22)36)27-23(14-34-29(27)39)25-15-33-26-4-2-3-9-38(25)26/h2-4,9,12-13,15,18-19,32H,5-8,10-11,14,16-17H2,1H3,(H,34,39)
InChIKeyFORCQPRDYYXAQY-UHFFFAOYSA-N
MW541.63 g/mol
LogP3.34
Rot. Bonds4

About 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 135275122) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
PubChem CID135275122
Molecular FormulaC30H32FN7O2
Molecular Weight541.63 g/mol
Exact Mass541.26
IUPAC Name6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
SMILESCN(CC1CCNCC1)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CNC3=O)c3cc(F)cc(c32)C1
InChIInChI=1S/C30H32FN7O2/c1-35(16-19-5-7-32-8-6-19)30(40)37-11-10-36-18-24(22-13-21(31)12-20(17-37)28(22)36)27-23(14-34-29(27)39)25-15-33-26-4-2-3-9-38(25)26/h2-4,9,12-13,15,18-19,32H,5-8,10-11,14,16-17H2,1H3,(H,34,39)
InChIKeyFORCQPRDYYXAQY-UHFFFAOYSA-N
XLogP3.34
TPSA86.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
The IUPAC name of 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide (CID 135275122) is 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide.
What is the SMILES notation for 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
The canonical SMILES for 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide is CN(CC1CCNCC1)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)CNC3=O)c3cc(F)cc(c32)C1.
What is the InChIKey of 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
The InChIKey is FORCQPRDYYXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2/c1-35(16-19-5-7-32-8-6-19)30(40)37-11-10-36-18-24(22-13-21(31)12-20(17-37)28(22)36)27-23(14-34-29(27)39)25-15-33-26-4-2-3-9-38(25)26/h2-4,9,12-13,15,18-19,32H,5-8,10-11,14,16-17H2,1H3,(H,34,39).
What are the key properties of 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide?
6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 541.63 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 135275122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).