tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate

C30H38FN9O4 — CID 166537304

IUPACtert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate
SMILESCC(C)Oc1nc2nn(C3CCN(CC4(F)CN(C(=O)OC(C)(C)C)C4)CC3)cc2cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C30H38FN9O4/c1-19(2)43-27-23(34-26(41)22-14-33-39-10-6-9-32-25(22)39)13-20-15-40(36-24(20)35-27)21-7-11-37(12-8-21)16-30(31)17-38(18-30)28(42)44-29(3,4)5/h6,9-10,13-15,19,21H,7-8,11-12,16-18H2,1-5H3,(H,34,41)
InChIKeyDOADPZFZCLCVTL-UHFFFAOYSA-N
MW607.69 g/mol
LogP4.11
Rot. Bonds7

About tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate

tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate (PubChem CID 166537304) has the molecular formula C30H38FN9O4 and a molecular weight of 607.69 g/mol. Its IUPAC name is tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate
PubChem CID166537304
Molecular FormulaC30H38FN9O4
Molecular Weight607.69 g/mol
Exact Mass607.30
IUPAC Nametert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate
SMILESCC(C)Oc1nc2nn(C3CCN(CC4(F)CN(C(=O)OC(C)(C)C)C4)CC3)cc2cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C30H38FN9O4/c1-19(2)43-27-23(34-26(41)22-14-33-39-10-6-9-32-25(22)39)13-20-15-40(36-24(20)35-27)21-7-11-37(12-8-21)16-30(31)17-38(18-30)28(42)44-29(3,4)5/h6,9-10,13-15,19,21H,7-8,11-12,16-18H2,1-5H3,(H,34,41)
InChIKeyDOADPZFZCLCVTL-UHFFFAOYSA-N
XLogP4.11
TPSA132.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.69
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate (CID 166537304) is tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate is CC(C)Oc1nc2nn(C3CCN(CC4(F)CN(C(=O)OC(C)(C)C)C4)CC3)cc2cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate?
The InChIKey is DOADPZFZCLCVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN9O4/c1-19(2)43-27-23(34-26(41)22-14-33-39-10-6-9-32-25(22)39)13-20-15-40(36-24(20)35-27)21-7-11-37(12-8-21)16-30(31)17-38(18-30)28(42)44-29(3,4)5/h6,9-10,13-15,19,21H,7-8,11-12,16-18H2,1-5H3,(H,34,41).
What are the key properties of tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate?
tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate has a molecular weight of 607.69 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-3-[[4-[6-propan-2-yloxy-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazolo[3,4-b]pyridin-2-yl]piperidin-1-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 166537304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).