tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate

C27H32N6O3 — CID 163301622

IUPACtert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](Oc2nc(-c3cnn(C)c3)cn3ncc(-c4ccccc4)c23)C1
InChIInChI=1S/C27H32N6O3/c1-27(2,3)36-26(34)32(5)20-11-12-21(13-20)35-25-24-22(18-9-7-6-8-10-18)15-29-33(24)17-23(30-25)19-14-28-31(4)16-19/h6-10,14-17,20-21H,11-13H2,1-5H3/t20-,21+/m1/s1
InChIKeyUUFPRAVWSRMSLO-RTWAWAEBSA-N
MW488.59 g/mol
LogP4.96
Rot. Bonds5

About tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate

tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate (PubChem CID 163301622) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate
PubChem CID163301622
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Nametert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](Oc2nc(-c3cnn(C)c3)cn3ncc(-c4ccccc4)c23)C1
InChIInChI=1S/C27H32N6O3/c1-27(2,3)36-26(34)32(5)20-11-12-21(13-20)35-25-24-22(18-9-7-6-8-10-18)15-29-33(24)17-23(30-25)19-14-28-31(4)16-19/h6-10,14-17,20-21H,11-13H2,1-5H3/t20-,21+/m1/s1
InChIKeyUUFPRAVWSRMSLO-RTWAWAEBSA-N
XLogP4.96
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate (CID 163301622) is tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](Oc2nc(-c3cnn(C)c3)cn3ncc(-c4ccccc4)c23)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate?
The InChIKey is UUFPRAVWSRMSLO-RTWAWAEBSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-27(2,3)36-26(34)32(5)20-11-12-21(13-20)35-25-24-22(18-9-7-6-8-10-18)15-29-33(24)17-23(30-25)19-14-28-31(4)16-19/h6-10,14-17,20-21H,11-13H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate?
tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate has a molecular weight of 488.59 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate is sourced from PubChem (CID 163301622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).