N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C25H24N8O2 — CID 137307830

IUPACN-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

SMILESCc1ccc(C)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12

InChIInChI=1S/C25H24N8O2/c1-14-3-4-15(2)21-20(14)29-24(30-21)22-19-10-17(12-27-23(19)32-31-22)16-9-18(13-26-11-16)28-25(34)33-5-7-35-8-6-33/h3-4,9-13H,5-8H2,1-2H3,(H,28,34)(H,29,30)(H,27,31,32)

InChIKeyRCHDNEZVIJJEJU-UHFFFAOYSA-N

MW468.52 g/mol

LogP4.04

Rot. Bonds3

About N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 137307830) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name	N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID	137307830
Molecular Formula	C25H24N8O2
Molecular Weight	468.52 g/mol
Exact Mass	468.20
IUPAC Name	N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILES	Cc1ccc(C)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12
InChI	InChI=1S/C25H24N8O2/c1-14-3-4-15(2)21-20(14)29-24(30-21)22-19-10-17(12-27-23(19)32-31-22)16-9-18(13-26-11-16)28-25(34)33-5-7-35-8-6-33/h3-4,9-13H,5-8H2,1-2H3,(H,28,34)(H,29,30)(H,27,31,32)
InChIKey	RCHDNEZVIJJEJU-UHFFFAOYSA-N
XLogP	4.04
TPSA	124.71 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The IUPAC name of N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 137307830) is N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The canonical SMILES for N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is Cc1ccc(C)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.

What is the InChIKey of N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The InChIKey is RCHDNEZVIJJEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-14-3-4-15(2)21-20(14)29-24(30-21)22-19-10-17(12-27-23(19)32-31-22)16-9-18(13-26-11-16)28-25(34)33-5-7-35-8-6-33/h3-4,9-13H,5-8H2,1-2H3,(H,28,34)(H,29,30)(H,27,31,32).

What are the key properties of N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4,7-dimethyl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 137307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).