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

C30H21N5O — CID 59208238

IUPACN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NC3c4ccccc4-c4c(-c5nc6ccncc6[nH]5)cccc43)cccc2n1
InChIInChI=1S/C30H21N5O/c1-17-12-13-18-21(8-5-11-24(18)32-17)30(36)35-28-20-7-3-2-6-19(20)27-22(28)9-4-10-23(27)29-33-25-14-15-31-16-26(25)34-29/h2-16,28H,1H3,(H,33,34)(H,35,36)
InChIKeyCJSXGBVWGQWSJZ-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.98
Rot. Bonds3

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

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide (PubChem CID 59208238) has the molecular formula C30H21N5O and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
PubChem CID59208238
Molecular FormulaC30H21N5O
Molecular Weight467.53 g/mol
Exact Mass467.17
IUPAC NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NC3c4ccccc4-c4c(-c5nc6ccncc6[nH]5)cccc43)cccc2n1
InChIInChI=1S/C30H21N5O/c1-17-12-13-18-21(8-5-11-24(18)32-17)30(36)35-28-20-7-3-2-6-19(20)27-22(28)9-4-10-23(27)29-33-25-14-15-31-16-26(25)34-29/h2-16,28H,1H3,(H,33,34)(H,35,36)
InChIKeyCJSXGBVWGQWSJZ-UHFFFAOYSA-N
XLogP5.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide?
The IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide (CID 59208238) is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide.
What is the SMILES notation for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide?
The canonical SMILES for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide is Cc1ccc2c(C(=O)NC3c4ccccc4-c4c(-c5nc6ccncc6[nH]5)cccc43)cccc2n1.
What is the InChIKey of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide?
The InChIKey is CJSXGBVWGQWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O/c1-17-12-13-18-21(8-5-11-24(18)32-17)30(36)35-28-20-7-3-2-6-19(20)27-22(28)9-4-10-23(27)29-33-25-14-15-31-16-26(25)34-29/h2-16,28H,1H3,(H,33,34)(H,35,36).
What are the key properties of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide?
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide is sourced from PubChem (CID 59208238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).