N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C27H18N8O — CID 59334080

IUPACN-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3cncc(-c4nn[nH]n4)c3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C27H18N8O/c36-27(21-9-11-30-26-20(21)8-10-29-26)31-24-19-5-2-1-4-18(19)23-17(6-3-7-22(23)24)15-12-16(14-28-13-15)25-32-34-35-33-25/h1-14,24H,(H,29,30)(H,31,36)(H,32,33,34,35)
InChIKeyNEAGZIGUKFJPII-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.30
Rot. Bonds4

About N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 59334080) has the molecular formula C27H18N8O and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID59334080
Molecular FormulaC27H18N8O
Molecular Weight470.50 g/mol
Exact Mass470.16
IUPAC NameN-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3cncc(-c4nn[nH]n4)c3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C27H18N8O/c36-27(21-9-11-30-26-20(21)8-10-29-26)31-24-19-5-2-1-4-18(19)23-17(6-3-7-22(23)24)15-12-16(14-28-13-15)25-32-34-35-33-25/h1-14,24H,(H,29,30)(H,31,36)(H,32,33,34,35)
InChIKeyNEAGZIGUKFJPII-UHFFFAOYSA-N
XLogP4.30
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 59334080) is N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1c2ccccc2-c2c(-c3cncc(-c4nn[nH]n4)c3)cccc21)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is NEAGZIGUKFJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N8O/c36-27(21-9-11-30-26-20(21)8-10-29-26)31-24-19-5-2-1-4-18(19)23-17(6-3-7-22(23)24)15-12-16(14-28-13-15)25-32-34-35-33-25/h1-14,24H,(H,29,30)(H,31,36)(H,32,33,34,35).
What are the key properties of N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 59334080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).