molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

C22H29N7OS2 — CID 158931200

IUPACmolecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESO=C(CCN1CCc2[nH]ncc2C1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H23N7OS2.3H2/c30-19(4-8-29-7-3-15-13(12-29)9-25-28-15)27-22-20(14-1-5-24-11-18(14)32-22)21-26-16-10-23-6-2-17(16)31-21;;;/h2,6,9-10,24H,1,3-5,7-8,11-12H2,(H,25,28)(H,27,30);3*1H
InChIKeyJJBRYUGMHPDPKZ-UHFFFAOYSA-N
MW471.66 g/mol
LogP3.91
Rot. Bonds5

About molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide

molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (PubChem CID 158931200) has the molecular formula C22H29N7OS2 and a molecular weight of 471.66 g/mol. Its IUPAC name is molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Namemolecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
PubChem CID158931200
Molecular FormulaC22H29N7OS2
Molecular Weight471.66 g/mol
Exact Mass471.19
IUPAC Namemolecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
SMILESO=C(CCN1CCc2[nH]ncc2C1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H23N7OS2.3H2/c30-19(4-8-29-7-3-15-13(12-29)9-25-28-15)27-22-20(14-1-5-24-11-18(14)32-22)21-26-16-10-23-6-2-17(16)31-21;;;/h2,6,9-10,24H,1,3-5,7-8,11-12H2,(H,25,28)(H,27,30);3*1H
InChIKeyJJBRYUGMHPDPKZ-UHFFFAOYSA-N
XLogP3.91
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.66
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide with MolForge

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Related Compounds

3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen
CID 159648913
3-(azetidin-3-ylamino)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;ethane
CID 145201797
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 57387552
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]pent-4-ynamide
CID 46925869
2-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 145201793
N-[3-(5-morpholin-4-yl-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
CID 155148059
N-[3-(1,3-benzothiazol-2-yl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 44994260
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-[3-(2-methoxyethylamino)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 158597948
N-[3-[5-(1-hydroxyethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
CID 155555890
6-(3-methylimidazol-4-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one
CID 158657365
N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
CID 155148061
6-(1H-benzimidazol-2-yl)-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]heptan-2-one;molecular hydrogen
CID 157153127

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The IUPAC name of molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide (CID 158931200) is molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide.
What is the SMILES notation for molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The canonical SMILES for molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is O=C(CCN1CCc2[nH]ncc2C1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H].[H][H].[H][H].
What is the InChIKey of molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
The InChIKey is JJBRYUGMHPDPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS2.3H2/c30-19(4-8-29-7-3-15-13(12-29)9-25-28-15)27-22-20(14-1-5-24-11-18(14)32-22)21-26-16-10-23-6-2-17(16)31-21;;;/h2,6,9-10,24H,1,3-5,7-8,11-12H2,(H,25,28)(H,27,30);3*1H.
What are the key properties of molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide?
molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide has a molecular weight of 471.66 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 158931200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).