N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide

C22H24N8O2S — CID 46908868

IUPACN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21)c1cncs1
InChIInChI=1S/C22H24N8O2S/c31-21(18-14-23-15-33-18)24-5-1-6-30-7-4-16-12-26-22(28-20(16)30)27-17-2-3-19(25-13-17)29-8-10-32-11-9-29/h2-4,7,12-15H,1,5-6,8-11H2,(H,24,31)(H,26,27,28)
InChIKeySVMVLQNRBXGIIV-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.68
Rot. Bonds8

About N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide

N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 46908868) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide
PubChem CID46908868
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC NameN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21)c1cncs1
InChIInChI=1S/C22H24N8O2S/c31-21(18-14-23-15-33-18)24-5-1-6-30-7-4-16-12-26-22(28-20(16)30)27-17-2-3-19(25-13-17)29-8-10-32-11-9-29/h2-4,7,12-15H,1,5-6,8-11H2,(H,24,31)(H,26,27,28)
InChIKeySVMVLQNRBXGIIV-UHFFFAOYSA-N
XLogP2.68
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide (CID 46908868) is N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide is O=C(NCCCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21)c1cncs1.
What is the InChIKey of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SVMVLQNRBXGIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c31-21(18-14-23-15-33-18)24-5-1-6-30-7-4-16-12-26-22(28-20(16)30)27-17-2-3-19(25-13-17)29-8-10-32-11-9-29/h2-4,7,12-15H,1,5-6,8-11H2,(H,24,31)(H,26,27,28).
What are the key properties of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide?
N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46908868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).