tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate

C19H26N6O2 — CID 171768820

IUPACtert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccnn2CC12CCN(c1ncccn1)CC2
InChIInChI=1S/C19H26N6O2/c1-18(2,3)27-17(26)23-15-14-5-10-22-25(14)13-19(15)6-11-24(12-7-19)16-20-8-4-9-21-16/h4-5,8-10,15H,6-7,11-13H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyFISBWOSNQJWBEP-OAHLLOKOSA-N
MW370.46 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate

tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate (PubChem CID 171768820) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate
PubChem CID171768820
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Nametert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccnn2CC12CCN(c1ncccn1)CC2
InChIInChI=1S/C19H26N6O2/c1-18(2,3)27-17(26)23-15-14-5-10-22-25(14)13-19(15)6-11-24(12-7-19)16-20-8-4-9-21-16/h4-5,8-10,15H,6-7,11-13H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyFISBWOSNQJWBEP-OAHLLOKOSA-N
XLogP2.54
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(1S)-1'-(6-bromo-1,2,4-triazin-3-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155623276
tert-butyl N-[(4R)-8-imidazo[1,2-c]pyrimidin-5-yl-8-azaspiro[4.5]decan-4-yl]carbamate
CID 153474479
tert-butyl N-[(6S)-1'-(7-bromo-6-methylpyrazolo[1,5-a]pyrazin-4-yl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]carbamate
CID 169080176
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
CID 175463003
tert-butyl N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]carbamate
CID 110414756
tert-butyl N-[(5S)-1'-(3-acetyl-6-amino-5-bromopyrazin-2-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]carbamate
CID 162383109
methyl 3-[[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1,2,4-triazin-6-yl]sulfanyl]propanoate
CID 155623278
methyl 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155774173
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
tert-butyl N-[(6R)-1'-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-yl]carbamate
CID 156805976
methyl 6-bromo-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 149011664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate (CID 171768820) is tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2ccnn2CC12CCN(c1ncccn1)CC2.
What is the InChIKey of tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate?
The InChIKey is FISBWOSNQJWBEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-18(2,3)27-17(26)23-15-14-5-10-22-25(14)13-19(15)6-11-24(12-7-19)16-20-8-4-9-21-16/h4-5,8-10,15H,6-7,11-13H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate?
tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate has a molecular weight of 370.46 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-1'-pyrimidin-2-ylspiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-yl]carbamate is sourced from PubChem (CID 171768820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).