7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

C22H26N6O2 — CID 45485164

IUPAC7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(N[C@H]3CCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O2/c1-15-21(26-17-7-9-24-14-17)19(13-23)20-8-10-25-28(20)22(15)27-16-3-5-18(6-4-16)30-12-11-29-2/h3-6,8,10,17,24,26-27H,7,9,11-12,14H2,1-2H3/t17-/m0/s1
InChIKeyQZYDVHTWUXMPAD-KRWDZBQOSA-N
MW406.49 g/mol
LogP3.06
Rot. Bonds8

About 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485164) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485164
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(N[C@H]3CCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O2/c1-15-21(26-17-7-9-24-14-17)19(13-23)20-8-10-25-28(20)22(15)27-16-3-5-18(6-4-16)30-12-11-29-2/h3-6,8,10,17,24,26-27H,7,9,11-12,14H2,1-2H3/t17-/m0/s1
InChIKeyQZYDVHTWUXMPAD-KRWDZBQOSA-N
XLogP3.06
TPSA95.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485164) is 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is COCCOc1ccc(Nc2c(C)c(N[C@H]3CCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is QZYDVHTWUXMPAD-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-21(26-17-7-9-24-14-17)19(13-23)20-8-10-25-28(20)22(15)27-16-3-5-18(6-4-16)30-12-11-29-2/h3-6,8,10,17,24,26-27H,7,9,11-12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3S)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).