3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one

C23H28N6O4 — CID 153486344

IUPAC3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C23H28N6O4/c1-24-21-11-20(26-15-4-3-9-28(23(15)32)16-6-8-19(16)33-2)27-22-14(12-25-29(21)22)18(31)10-13-5-7-17(13)30/h3-4,9,11-13,16-17,19,24,30H,5-8,10H2,1-2H3,(H,26,27)/t13-,16+,17+,19+/m0/s1
InChIKeyZFXIVNRDNNHHHZ-CNDLSXRNSA-N
MW452.52 g/mol
LogP2.37
Rot. Bonds8

About 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one

3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one (PubChem CID 153486344) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one.

Molecular Properties

Compound Name3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one
PubChem CID153486344
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C23H28N6O4/c1-24-21-11-20(26-15-4-3-9-28(23(15)32)16-6-8-19(16)33-2)27-22-14(12-25-29(21)22)18(31)10-13-5-7-17(13)30/h3-4,9,11-13,16-17,19,24,30H,5-8,10H2,1-2H3,(H,26,27)/t13-,16+,17+,19+/m0/s1
InChIKeyZFXIVNRDNNHHHZ-CNDLSXRNSA-N
XLogP2.37
TPSA122.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one 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 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one?
The IUPAC name of 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one (CID 153486344) is 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one.
What is the SMILES notation for 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one?
The canonical SMILES for 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one is CNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12.
What is the InChIKey of 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one?
The InChIKey is ZFXIVNRDNNHHHZ-CNDLSXRNSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-24-21-11-20(26-15-4-3-9-28(23(15)32)16-6-8-19(16)33-2)27-22-14(12-25-29(21)22)18(31)10-13-5-7-17(13)30/h3-4,9,11-13,16-17,19,24,30H,5-8,10H2,1-2H3,(H,26,27)/t13-,16+,17+,19+/m0/s1.
What are the key properties of 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one?
3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one has a molecular weight of 452.52 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(1R,2R)-2-methoxycyclobutyl]pyridin-2-one is sourced from PubChem (CID 153486344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).