5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile

C22H21N9O — CID 138571379

IUPAC5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile
SMILESCN1CCN(c2ccc(Nc3cc(Oc4ccc(C#N)nc4)nc4nc[nH]c34)nc2)CC1
InChIInChI=1S/C22H21N9O/c1-30-6-8-31(9-7-30)16-3-5-19(25-12-16)28-18-10-20(29-22-21(18)26-14-27-22)32-17-4-2-15(11-23)24-13-17/h2-5,10,12-14H,6-9H2,1H3,(H2,25,26,27,28,29)
InChIKeyPVCMVPPEGYIALF-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.91
Rot. Bonds5

About 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile

5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile (PubChem CID 138571379) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile
PubChem CID138571379
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile
SMILESCN1CCN(c2ccc(Nc3cc(Oc4ccc(C#N)nc4)nc4nc[nH]c34)nc2)CC1
InChIInChI=1S/C22H21N9O/c1-30-6-8-31(9-7-30)16-3-5-19(25-12-16)28-18-10-20(29-22-21(18)26-14-27-22)32-17-4-2-15(11-23)24-13-17/h2-5,10,12-14H,6-9H2,1H3,(H2,25,26,27,28,29)
InChIKeyPVCMVPPEGYIALF-UHFFFAOYSA-N
XLogP2.91
TPSA118.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138571402
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
1-[6-(4-fluorophenoxy)-3-pyridinyl]-4-methyl-1,4-diazepane
CID 91526375
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456374
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 171350063
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146078102
5-[4-[4-(4-methylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 154575604

Frequently Asked Questions

What is the IUPAC name of 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile?
The IUPAC name of 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile (CID 138571379) is 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile is CN1CCN(c2ccc(Nc3cc(Oc4ccc(C#N)nc4)nc4nc[nH]c34)nc2)CC1.
What is the InChIKey of 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile?
The InChIKey is PVCMVPPEGYIALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O/c1-30-6-8-31(9-7-30)16-3-5-19(25-12-16)28-18-10-20(29-22-21(18)26-14-27-22)32-17-4-2-15(11-23)24-13-17/h2-5,10,12-14H,6-9H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile?
5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile has a molecular weight of 427.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-5-yl]oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 138571379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).