1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol

C20H21N7OS — CID 87945539

IUPAC1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(CN4CCC(O)C4)ccn3)sc2n1
InChIInChI=1S/C20H21N7OS/c1-12-15(9-22-26-12)16-2-3-17-19(23-16)29-20(24-17)25-18-8-13(4-6-21-18)10-27-7-5-14(28)11-27/h2-4,6,8-9,14,28H,5,7,10-11H2,1H3,(H,22,26)(H,21,24,25)
InChIKeySNPZDJVNVCJDPX-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.10
Rot. Bonds5

About 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol

1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol (PubChem CID 87945539) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
PubChem CID87945539
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(CN4CCC(O)C4)ccn3)sc2n1
InChIInChI=1S/C20H21N7OS/c1-12-15(9-22-26-12)16-2-3-17-19(23-16)29-20(24-17)25-18-8-13(4-6-21-18)10-27-7-5-14(28)11-27/h2-4,6,8-9,14,28H,5,7,10-11H2,1H3,(H,22,26)(H,21,24,25)
InChIKeySNPZDJVNVCJDPX-UHFFFAOYSA-N
XLogP3.10
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol (CID 87945539) is 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN4CCC(O)C4)ccn3)sc2n1.
What is the InChIKey of 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol?
The InChIKey is SNPZDJVNVCJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-12-15(9-22-26-12)16-2-3-17-19(23-16)29-20(24-17)25-18-8-13(4-6-21-18)10-27-7-5-14(28)11-27/h2-4,6,8-9,14,28H,5,7,10-11H2,1H3,(H,22,26)(H,21,24,25).
What are the key properties of 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol?
1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol has a molecular weight of 407.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 87945539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).