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

C29H25N9O2 — CID 121258710

IUPACN-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESNn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)N5CCOCC5)c4)cc23)cc2c(-c3ccccn3)cccc21
InChIInChI=1S/C29H25N9O2/c30-38-25-6-3-4-21(24-5-1-2-7-32-24)22(25)14-26(38)27-23-13-19(16-33-28(23)36-35-27)18-12-20(17-31-15-18)34-29(39)37-8-10-40-11-9-37/h1-7,12-17H,8-11,30H2,(H,34,39)(H,33,35,36)
InChIKeyHJYVCAWCGAVHCJ-UHFFFAOYSA-N
MW531.58 g/mol
LogP4.28
Rot. Bonds4

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

N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 121258710) has the molecular formula C29H25N9O2 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID121258710
Molecular FormulaC29H25N9O2
Molecular Weight531.58 g/mol
Exact Mass531.21
IUPAC NameN-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESNn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)N5CCOCC5)c4)cc23)cc2c(-c3ccccn3)cccc21
InChIInChI=1S/C29H25N9O2/c30-38-25-6-3-4-21(24-5-1-2-7-32-24)22(25)14-26(38)27-23-13-19(16-33-28(23)36-35-27)18-12-20(17-31-15-18)34-29(39)37-8-10-40-11-9-37/h1-7,12-17H,8-11,30H2,(H,34,39)(H,33,35,36)
InChIKeyHJYVCAWCGAVHCJ-UHFFFAOYSA-N
XLogP4.28
TPSA139.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.58
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-(3-iodophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 137054235
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
1,1-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;3-methyl-N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;4-methyl-N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158419544
1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide
CID 121258726
N-[5-[3-[4-[2-(diethylamino)acetyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 137307895
2-[5-[5-(methanesulfonamido)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N-methyl-1H-indole-4-carboxamide;N-[5-[3-[4-(methylcarbamoyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-methyl-2-[5-[5-[(4-methylpiperazine-1-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide;N-methyl-2-[5-[5-[(1-methylpiperidine-4-carbonyl)amino]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indole-4-carboxamide
CID 161062256
2-phenyl-N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137056042
1,1-dimethyl-3-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]urea;4-methyl-N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide;1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 161262992
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137143286
3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158232873
N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 121258658

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 121258710) is N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is Nn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)N5CCOCC5)c4)cc23)cc2c(-c3ccccn3)cccc21.
What is the InChIKey of N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is HJYVCAWCGAVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O2/c30-38-25-6-3-4-21(24-5-1-2-7-32-24)22(25)14-26(38)27-23-13-19(16-33-28(23)36-35-27)18-12-20(17-31-15-18)34-29(39)37-8-10-40-11-9-37/h1-7,12-17H,8-11,30H2,(H,34,39)(H,33,35,36).
What are the key properties of N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 531.58 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1-amino-4-pyridin-2-ylindol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 121258710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).