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

C24H30N6O4 — CID 146755420

IUPAC3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3OC)cnn12
InChIInChI=1S/C24H30N6O4/c1-25-22-12-21(27-18-6-3-9-29(24(18)32)16-5-4-10-34-14-16)28-23-17(13-26-30(22)23)19(31)11-15-7-8-20(15)33-2/h3,6,9,12-13,15-16,20,25H,4-5,7-8,10-11,14H2,1-2H3,(H,27,28)/t15-,16+,20+/m0/s1
InChIKeyROHMNANNJPPRMY-RZQQEMMASA-N
MW466.54 g/mol
LogP3.03
Rot. Bonds8

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

3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one (PubChem CID 146755420) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
PubChem CID146755420
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESCNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3OC)cnn12
InChIInChI=1S/C24H30N6O4/c1-25-22-12-21(27-18-6-3-9-29(24(18)32)16-5-4-10-34-14-16)28-23-17(13-26-30(22)23)19(31)11-15-7-8-20(15)33-2/h3,6,9,12-13,15-16,20,25H,4-5,7-8,10-11,14H2,1-2H3,(H,27,28)/t15-,16+,20+/m0/s1
InChIKeyROHMNANNJPPRMY-RZQQEMMASA-N
XLogP3.03
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one (CID 146755420) is 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one is CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)C[C@@H]3CC[C@H]3OC)cnn12.
What is the InChIKey of 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
The InChIKey is ROHMNANNJPPRMY-RZQQEMMASA-N. The full InChI is InChI=1S/C24H30N6O4/c1-25-22-12-21(27-18-6-3-9-29(24(18)32)16-5-4-10-34-14-16)28-23-17(13-26-30(22)23)19(31)11-15-7-8-20(15)33-2/h3,6,9,12-13,15-16,20,25H,4-5,7-8,10-11,14H2,1-2H3,(H,27,28)/t15-,16+,20+/m0/s1.
What are the key properties of 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?
3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one has a molecular weight of 466.54 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-[(1S,2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 146755420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).