[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

C19H22N8OS — CID 71199039

IUPAC[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
SMILESCc1cc(Nc2cc(N3CCCC(CO)C3)nc3c(-c4cn[nH]c4)cnn23)sn1
InChIInChI=1S/C19H22N8OS/c1-12-5-18(29-25-12)23-17-6-16(26-4-2-3-13(10-26)11-28)24-19-15(9-22-27(17)19)14-7-20-21-8-14/h5-9,13,23,28H,2-4,10-11H2,1H3,(H,20,21)
InChIKeyKYBMVJOTLGPTKY-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.84
Rot. Bonds5

About [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

[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 (PubChem CID 71199039) has the molecular formula C19H22N8OS and a molecular weight of 410.51 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID71199039
Molecular FormulaC19H22N8OS
Molecular Weight410.51 g/mol
Exact Mass410.16
IUPAC Name[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
SMILESCc1cc(Nc2cc(N3CCCC(CO)C3)nc3c(-c4cn[nH]c4)cnn23)sn1
InChIInChI=1S/C19H22N8OS/c1-12-5-18(29-25-12)23-17-6-16(26-4-2-3-13(10-26)11-28)24-19-15(9-22-27(17)19)14-7-20-21-8-14/h5-9,13,23,28H,2-4,10-11H2,1H3,(H,20,21)
InChIKeyKYBMVJOTLGPTKY-UHFFFAOYSA-N
XLogP2.84
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(Nc2cc(N3CCCC(CO)C3)nc3c(-c4cn[nH]c4)cnn23)sn1.
What is the InChIKey of [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?
The InChIKey is KYBMVJOTLGPTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8OS/c1-12-5-18(29-25-12)23-17-6-16(26-4-2-3-13(10-26)11-28)24-19-15(9-22-27(17)19)14-7-20-21-8-14/h5-9,13,23,28H,2-4,10-11H2,1H3,(H,20,21).
What are the key properties of [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?
[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 has a molecular weight of 410.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 71199039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).