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

C27H26FN7O — CID 85473090

IUPAC4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(c2cc3c(-c4cnc5ccn(Cc6cncc(F)c6)c5c4)ccnc3[nH]2)CC1
InChIInChI=1S/C27H26FN7O/c1-29-27(36)34-7-3-18(4-8-34)24-12-22-21(2-6-31-26(22)33-24)19-11-25-23(32-14-19)5-9-35(25)16-17-10-20(28)15-30-13-17/h2,5-6,9-15,18H,3-4,7-8,16H2,1H3,(H,29,36)(H,31,33)
InChIKeyISBPMMKSEVEJJS-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.68
Rot. Bonds4

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

4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 85473090) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide
PubChem CID85473090
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(c2cc3c(-c4cnc5ccn(Cc6cncc(F)c6)c5c4)ccnc3[nH]2)CC1
InChIInChI=1S/C27H26FN7O/c1-29-27(36)34-7-3-18(4-8-34)24-12-22-21(2-6-31-26(22)33-24)19-11-25-23(32-14-19)5-9-35(25)16-17-10-20(28)15-30-13-17/h2,5-6,9-15,18H,3-4,7-8,16H2,1H3,(H,29,36)(H,31,33)
InChIKeyISBPMMKSEVEJJS-UHFFFAOYSA-N
XLogP4.68
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-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[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide (CID 85473090) is 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(c2cc3c(-c4cnc5ccn(Cc6cncc(F)c6)c5c4)ccnc3[nH]2)CC1.
What is the InChIKey of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is ISBPMMKSEVEJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-29-27(36)34-7-3-18(4-8-34)24-12-22-21(2-6-31-26(22)33-24)19-11-25-23(32-14-19)5-9-35(25)16-17-10-20(28)15-30-13-17/h2,5-6,9-15,18H,3-4,7-8,16H2,1H3,(H,29,36)(H,31,33).
What are the key properties of 4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
4-[4-[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.68, 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[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 85473090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).