(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

C22H24N6O2S — CID 129117549

IUPAC(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCOc1c(Nc2ncnc3sc4c(c23)CC[C@H](C(=O)NC(C)C)C4)ccn2nccc12
InChIInChI=1S/C22H24N6O2S/c1-12(2)26-21(29)13-4-5-14-17(10-13)31-22-18(14)20(23-11-24-22)27-15-7-9-28-16(6-8-25-28)19(15)30-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,26,29)(H,23,24,27)/t13-/m0/s1
InChIKeyOHFISPAVZWATPF-ZDUSSCGKSA-N
MW436.54 g/mol
LogP3.72
Rot. Bonds5

About (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 129117549) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID129117549
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCOc1c(Nc2ncnc3sc4c(c23)CC[C@H](C(=O)NC(C)C)C4)ccn2nccc12
InChIInChI=1S/C22H24N6O2S/c1-12(2)26-21(29)13-4-5-14-17(10-13)31-22-18(14)20(23-11-24-22)27-15-7-9-28-16(6-8-25-28)19(15)30-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,26,29)(H,23,24,27)/t13-/m0/s1
InChIKeyOHFISPAVZWATPF-ZDUSSCGKSA-N
XLogP3.72
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

[(3S)-3,4-dimethylpiperazin-1-yl]-[(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 145309234
(7S)-N-(2-hydroxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414399
(7S)-N-[(2S)-2-methoxypropyl]-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414562
N-[(2R)-2-methoxypropyl]-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 153281138
N,N-dimethyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414486
4-[(6-fluoro-1H-indazol-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 72695643
4-(1H-indazol-5-ylamino)-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 90032066
[(7S)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 121414514
(7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-1-methoxypropan-2-yl]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414391
(7S)-4-[(5-methoxy-1,2,3-benzothiadiazol-6-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 130227923
(7S)-N-[2-(dimethylamino)-2-oxoethyl]-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414426
(7S)-N-[2-(dimethylamino)ethyl]-N-ethyl-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414561

Frequently Asked Questions

What is the IUPAC name of (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (CID 129117549) is (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is COc1c(Nc2ncnc3sc4c(c23)CC[C@H](C(=O)NC(C)C)C4)ccn2nccc12.
What is the InChIKey of (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is OHFISPAVZWATPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-12(2)26-21(29)13-4-5-14-17(10-13)31-22-18(14)20(23-11-24-22)27-15-7-9-28-16(6-8-25-28)19(15)30-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,26,29)(H,23,24,27)/t13-/m0/s1.
What are the key properties of (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
(7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-[(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 129117549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).