N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C22H21N5O2S — CID 166194797

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc12
InChIInChI=1S/C22H21N5O2S/c1-14-17-11-16(13-23-20(17)26-25-14)24-21(28)19-12-18(15-5-3-2-4-6-15)22(30-19)27-7-9-29-10-8-27/h2-6,11-13H,7-10H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyGVGUGNJTTUTMKI-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.08
Rot. Bonds4

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 166194797) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID166194797
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc12
InChIInChI=1S/C22H21N5O2S/c1-14-17-11-16(13-23-20(17)26-25-14)24-21(28)19-12-18(15-5-3-2-4-6-15)22(30-19)27-7-9-29-10-8-27/h2-6,11-13H,7-10H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyGVGUGNJTTUTMKI-UHFFFAOYSA-N
XLogP4.08
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 166194797) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1[nH]nc2ncc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is GVGUGNJTTUTMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-14-17-11-16(13-23-20(17)26-25-14)24-21(28)19-12-18(15-5-3-2-4-6-15)22(30-19)27-7-9-29-10-8-27/h2-6,11-13H,7-10H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 166194797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).