2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide

C24H32N6O2S — CID 154684731

IUPAC2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide
SMILESCC(C)(C)Nc1cc(NCC(=O)NC2CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H32N6O2S/c1-24(2,3)29-20-13-16(25-14-21(31)27-15-7-8-15)23-17(28-20)12-19(33-23)18-9-10-26-30(18)22-6-4-5-11-32-22/h9-10,12-13,15,22H,4-8,11,14H2,1-3H3,(H,27,31)(H2,25,28,29)
InChIKeyYWSVVGHXDFDLLC-UHFFFAOYSA-N
MW468.63 g/mol
LogP4.76
Rot. Bonds7

About 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide

2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide (PubChem CID 154684731) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide
PubChem CID154684731
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide
SMILESCC(C)(C)Nc1cc(NCC(=O)NC2CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H32N6O2S/c1-24(2,3)29-20-13-16(25-14-21(31)27-15-7-8-15)23-17(28-20)12-19(33-23)18-9-10-26-30(18)22-6-4-5-11-32-22/h9-10,12-13,15,22H,4-8,11,14H2,1-3H3,(H,27,31)(H2,25,28,29)
InChIKeyYWSVVGHXDFDLLC-UHFFFAOYSA-N
XLogP4.76
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide (CID 154684731) is 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide is CC(C)(C)Nc1cc(NCC(=O)NC2CC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide?
The InChIKey is YWSVVGHXDFDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-24(2,3)29-20-13-16(25-14-21(31)27-15-7-8-15)23-17(28-20)12-19(33-23)18-9-10-26-30(18)22-6-4-5-11-32-22/h9-10,12-13,15,22H,4-8,11,14H2,1-3H3,(H,27,31)(H2,25,28,29).
What are the key properties of 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide?
2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide has a molecular weight of 468.63 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 154684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).