N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

C22H27N5O3S — CID 155590316

IUPACN-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc2sc(-c3cccnc3)nc2c1NC1CCOCC1
InChIInChI=1S/C22H27N5O3S/c1-22(2,29)7-9-24-19(28)16-13-25-21-18(17(16)26-15-5-10-30-11-6-15)27-20(31-21)14-4-3-8-23-12-14/h3-4,8,12-13,15,29H,5-7,9-11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyPBHDKFXOCKMMHX-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.23
Rot. Bonds7

About N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 155590316) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
PubChem CID155590316
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc2sc(-c3cccnc3)nc2c1NC1CCOCC1
InChIInChI=1S/C22H27N5O3S/c1-22(2,29)7-9-24-19(28)16-13-25-21-18(17(16)26-15-5-10-30-11-6-15)27-20(31-21)14-4-3-8-23-12-14/h3-4,8,12-13,15,29H,5-7,9-11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyPBHDKFXOCKMMHX-UHFFFAOYSA-N
XLogP3.23
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 155590272
7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(oxolan-3-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693458
N-(2-cyclopropyl-2-hydroxypropyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126830270
N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654592
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58236116
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 102589267
7-cyano-4-(1-cyclopropylethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693642
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)oxolane-3-carboxamide;methane
CID 159604723

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (CID 155590316) is N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is CC(C)(O)CCNC(=O)c1cnc2sc(-c3cccnc3)nc2c1NC1CCOCC1.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is PBHDKFXOCKMMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-22(2,29)7-9-24-19(28)16-13-25-21-18(17(16)26-15-5-10-30-11-6-15)27-20(31-21)14-4-3-8-23-12-14/h3-4,8,12-13,15,29H,5-7,9-11H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)-7-(oxan-4-ylamino)-2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 155590316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).