3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine

C19H21N7S2 — CID 58364917

IUPAC3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc(C3CCCCS3)nc3c(-c4cnn(C)c4)cnn23)sn1
InChIInChI=1S/C19H21N7S2/c1-12-7-18(28-24-12)23-17-8-15(16-5-3-4-6-27-16)22-19-14(10-21-26(17)19)13-9-20-25(2)11-13/h7-11,16,23H,3-6H2,1-2H3
InChIKeyMVJINKXFDOHQHW-UHFFFAOYSA-N
MW411.56 g/mol
LogP4.60
Rot. Bonds4

About 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine

3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine (PubChem CID 58364917) has the molecular formula C19H21N7S2 and a molecular weight of 411.56 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
PubChem CID58364917
Molecular FormulaC19H21N7S2
Molecular Weight411.56 g/mol
Exact Mass411.13
IUPAC Name3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc(C3CCCCS3)nc3c(-c4cnn(C)c4)cnn23)sn1
InChIInChI=1S/C19H21N7S2/c1-12-7-18(28-24-12)23-17-8-15(16-5-3-4-6-27-16)22-19-14(10-21-26(17)19)13-9-20-25(2)11-13/h7-11,16,23H,3-6H2,1-2H3
InChIKeyMVJINKXFDOHQHW-UHFFFAOYSA-N
XLogP4.60
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethane;3-[3-(furan-3-yl)-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143656210
2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine
CID 89364502
tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 157123021
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158971683
5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123470664
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24822346
[1-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-yl]methanol
CID 71199039
tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane
CID 143439987
5-[[5-(2-aminopyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide
CID 70995750
5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364775
N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
CID 160515168
5-(4-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine (CID 58364917) is 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2cc(C3CCCCS3)nc3c(-c4cnn(C)c4)cnn23)sn1.
What is the InChIKey of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
The InChIKey is MVJINKXFDOHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7S2/c1-12-7-18(28-24-12)23-17-8-15(16-5-3-4-6-27-16)22-19-14(10-21-26(17)19)13-9-20-25(2)11-13/h7-11,16,23H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine has a molecular weight of 411.56 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 58364917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).