4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C27H24FN7O — CID 85472967

IUPAC4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(c2cc3c(-c4ccc5ccn(Cc6cncc(F)c6)c5n4)ccnc3[nH]2)CC1
InChIInChI=1S/C27H24FN7O/c1-29-27(36)34-9-5-18(6-10-34)24-13-22-21(4-8-31-25(22)32-24)23-3-2-19-7-11-35(26(19)33-23)16-17-12-20(28)15-30-14-17/h2-5,7-8,11-15H,6,9-10,16H2,1H3,(H,29,36)(H,31,32)
InChIKeyBQJXGNIYHMAKCN-UHFFFAOYSA-N
MW481.54 g/mol
LogP4.59
Rot. Bonds4

About 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 85472967) has the molecular formula C27H24FN7O and a molecular weight of 481.54 g/mol. Its IUPAC name is 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID85472967
Molecular FormulaC27H24FN7O
Molecular Weight481.54 g/mol
Exact Mass481.20
IUPAC Name4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(c2cc3c(-c4ccc5ccn(Cc6cncc(F)c6)c5n4)ccnc3[nH]2)CC1
InChIInChI=1S/C27H24FN7O/c1-29-27(36)34-9-5-18(6-10-34)24-13-22-21(4-8-31-25(22)32-24)23-3-2-19-7-11-35(26(19)33-23)16-17-12-20(28)15-30-14-17/h2-5,7-8,11-15H,6,9-10,16H2,1H3,(H,29,36)(H,31,32)
InChIKeyBQJXGNIYHMAKCN-UHFFFAOYSA-N
XLogP4.59
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 85472967) is 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CNC(=O)N1CC=C(c2cc3c(-c4ccc5ccn(Cc6cncc(F)c6)c5n4)ccnc3[nH]2)CC1.
What is the InChIKey of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BQJXGNIYHMAKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O/c1-29-27(36)34-9-5-18(6-10-34)24-13-22-21(4-8-31-25(22)32-24)23-3-2-19-7-11-35(26(19)33-23)16-17-12-20(28)15-30-14-17/h2-5,7-8,11-15H,6,9-10,16H2,1H3,(H,29,36)(H,31,32).
What are the key properties of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 481.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 85472967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).