N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C24H25N5O — CID 59811916

IUPACN-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C24H25N5O/c30-24(27-11-16-4-2-1-3-5-16)18-8-6-17(7-9-18)19-10-21-22(20-13-28-29-14-20)15-26-23(21)25-12-19/h6-10,12-16H,1-5,11H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyCCQFVHFCRISVDW-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.93
Rot. Bonds5

About N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 59811916) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID59811916
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C24H25N5O/c30-24(27-11-16-4-2-1-3-5-16)18-8-6-17(7-9-18)19-10-21-22(20-13-28-29-14-20)15-26-23(21)25-12-19/h6-10,12-16H,1-5,11H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyCCQFVHFCRISVDW-UHFFFAOYSA-N
XLogP4.93
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 59811916) is N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is O=C(NCC1CCCCC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is CCQFVHFCRISVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(27-11-16-4-2-1-3-5-16)18-8-6-17(7-9-18)19-10-21-22(20-13-28-29-14-20)15-26-23(21)25-12-19/h6-10,12-16H,1-5,11H2,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 399.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 59811916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).