1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol

C23H25ClN6O2S — CID 53495176

IUPAC1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESOC1(c2ncc(-c3c(Cl)cnc4[nH]c(-c5cnn(CCN6CCOCC6)c5)cc34)s2)CCC1
InChIInChI=1S/C23H25ClN6O2S/c24-17-12-25-21-16(20(17)19-13-26-22(33-19)23(31)2-1-3-23)10-18(28-21)15-11-27-30(14-15)5-4-29-6-8-32-9-7-29/h10-14,31H,1-9H2,(H,25,28)
InChIKeyIFRMHLWRTBKYFV-UHFFFAOYSA-N
MW485.01 g/mol
LogP3.91
Rot. Bonds6

About 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol

1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol (PubChem CID 53495176) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol
PubChem CID53495176
Molecular FormulaC23H25ClN6O2S
Molecular Weight485.01 g/mol
Exact Mass484.14
IUPAC Name1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESOC1(c2ncc(-c3c(Cl)cnc4[nH]c(-c5cnn(CCN6CCOCC6)c5)cc34)s2)CCC1
InChIInChI=1S/C23H25ClN6O2S/c24-17-12-25-21-16(20(17)19-13-26-22(33-19)23(31)2-1-3-23)10-18(28-21)15-11-27-30(14-15)5-4-29-6-8-32-9-7-29/h10-14,31H,1-9H2,(H,25,28)
InChIKeyIFRMHLWRTBKYFV-UHFFFAOYSA-N
XLogP3.91
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol (CID 53495176) is 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol is OC1(c2ncc(-c3c(Cl)cnc4[nH]c(-c5cnn(CCN6CCOCC6)c5)cc34)s2)CCC1.
What is the InChIKey of 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The InChIKey is IFRMHLWRTBKYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c24-17-12-25-21-16(20(17)19-13-26-22(33-19)23(31)2-1-3-23)10-18(28-21)15-11-27-30(14-15)5-4-29-6-8-32-9-7-29/h10-14,31H,1-9H2,(H,25,28).
What are the key properties of 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol has a molecular weight of 485.01 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-chloro-2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 53495176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).