2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

C25H18N6O — CID 11978794

IUPAC2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)ccn1
InChIInChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)
InChIKeyMLQIPNRXDPWOES-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.10
Rot. Bonds3

About 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide (PubChem CID 11978794) has the molecular formula C25H18N6O and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
PubChem CID11978794
Molecular FormulaC25H18N6O
Molecular Weight418.46 g/mol
Exact Mass418.15
IUPAC Name2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)ccn1
InChIInChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)
InChIKeyMLQIPNRXDPWOES-UHFFFAOYSA-N
XLogP4.10
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide (CID 11978794) is 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide is Nc1cc(C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)ccn1.
What is the InChIKey of 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The InChIKey is MLQIPNRXDPWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32).
What are the key properties of 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11978794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).