1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane

C26H35N9O3 — CID 169142635

IUPAC1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane
SMILESC1CCOC1.CC(C)Cn1cc(-c2cc3nccn3c(Nc3ccn[nH]3)n2)cn1.O=C(O)NC12CC(C1)C2
InChIInChI=1S/C16H18N8.C6H9NO2.C4H8O/c1-11(2)9-23-10-12(8-19-23)13-7-15-17-5-6-24(15)16(20-13)21-14-3-4-18-22-14;8-5(9)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h3-8,10-11H,9H2,1-2H3,(H2,18,20,21,22);4,7H,1-3H2,(H,8,9);1-4H2
InChIKeyWUNRIOZZDUOQAV-UHFFFAOYSA-N
MW521.63 g/mol
LogP4.32
Rot. Bonds6

About 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane

1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane (PubChem CID 169142635) has the molecular formula C26H35N9O3 and a molecular weight of 521.63 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane
PubChem CID169142635
Molecular FormulaC26H35N9O3
Molecular Weight521.63 g/mol
Exact Mass521.29
IUPAC Name1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane
SMILESC1CCOC1.CC(C)Cn1cc(-c2cc3nccn3c(Nc3ccn[nH]3)n2)cn1.O=C(O)NC12CC(C1)C2
InChIInChI=1S/C16H18N8.C6H9NO2.C4H8O/c1-11(2)9-23-10-12(8-19-23)13-7-15-17-5-6-24(15)16(20-13)21-14-3-4-18-22-14;8-5(9)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h3-8,10-11H,9H2,1-2H3,(H2,18,20,21,22);4,7H,1-3H2,(H,8,9);1-4H2
InChIKeyWUNRIOZZDUOQAV-UHFFFAOYSA-N
XLogP4.32
TPSA147.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane with MolForge

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Related Compounds

fluorocyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
CID 169143581
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
CID 169141362
7-(3-chloro-4-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 169142286
1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane
CID 169143664
6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid
CID 169140872
2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile
CID 67458975
[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142780
[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142559
[(3S,4S,5S)-4-fluoro-5-[3-[(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170122760
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]acetamide
CID 59298957
2,6-dimethyl-4-[1-(2-methylpropyl)pyrazol-4-yl]benzoic acid
CID 172876929
4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
CID 95732733

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane?
The IUPAC name of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane (CID 169142635) is 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane?
The canonical SMILES for 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane is C1CCOC1.CC(C)Cn1cc(-c2cc3nccn3c(Nc3ccn[nH]3)n2)cn1.O=C(O)NC12CC(C1)C2.
What is the InChIKey of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane?
The InChIKey is WUNRIOZZDUOQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8.C6H9NO2.C4H8O/c1-11(2)9-23-10-12(8-19-23)13-7-15-17-5-6-24(15)16(20-13)21-14-3-4-18-22-14;8-5(9)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h3-8,10-11H,9H2,1-2H3,(H2,18,20,21,22);4,7H,1-3H2,(H,8,9);1-4H2.
What are the key properties of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane?
1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane has a molecular weight of 521.63 g/mol, XLogP of 4.32, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanylcarbamic acid;7-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine;oxolane is sourced from PubChem (CID 169142635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).