tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C23H28N8O3 — CID 71102619

IUPACtert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
SMILESCc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cn[nH]c4)cnn23)on1
InChIInChI=1S/C23H28N8O3/c1-14-8-20(34-29-14)28-19-9-18(15-6-5-7-30(13-15)22(32)33-23(2,3)4)27-21-17(12-26-31(19)21)16-10-24-25-11-16/h8-12,15,28H,5-7,13H2,1-4H3,(H,24,25)
InChIKeyRZLVUSWNTMUORD-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.27
Rot. Bonds4

About tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (PubChem CID 71102619) has the molecular formula C23H28N8O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
PubChem CID71102619
Molecular FormulaC23H28N8O3
Molecular Weight464.53 g/mol
Exact Mass464.23
IUPAC Nametert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
SMILESCc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cn[nH]c4)cnn23)on1
InChIInChI=1S/C23H28N8O3/c1-14-8-20(34-29-14)28-19-9-18(15-6-5-7-30(13-15)22(32)33-23(2,3)4)27-21-17(12-26-31(19)21)16-10-24-25-11-16/h8-12,15,28H,5-7,13H2,1-4H3,(H,24,25)
InChIKeyRZLVUSWNTMUORD-UHFFFAOYSA-N
XLogP4.27
TPSA126.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (CID 71102619) is tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is Cc1cc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(-c4cn[nH]c4)cnn23)on1.
What is the InChIKey of tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The InChIKey is RZLVUSWNTMUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3/c1-14-8-20(34-29-14)28-19-9-18(15-6-5-7-30(13-15)22(32)33-23(2,3)4)27-21-17(12-26-31(19)21)16-10-24-25-11-16/h8-12,15,28H,5-7,13H2,1-4H3,(H,24,25).
What are the key properties of tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?
tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate has a molecular weight of 464.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71102619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).