1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate

C20H25F2N7O4 — CID 164879825

IUPAC1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate
SMILESCC1CC1(F)F.COCc1cc2c(Nc3cc(C4CC(OC(N)=O)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C16H19N7O4.C4H6F2/c1-25-7-9-4-12-15(18-2-3-23(12)22-9)19-14-6-11(20-21-14)13-5-10(8-26-13)27-16(17)24;1-3-2-4(3,5)6/h2-4,6,10,13H,5,7-8H2,1H3,(H2,17,24)(H2,18,19,20,21);3H,2H2,1H3
InChIKeyBSCRVDZOYZZKRJ-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.93
Rot. Bonds6

About 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate

1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate (PubChem CID 164879825) has the molecular formula C20H25F2N7O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate.

Molecular Properties

Compound Name1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate
PubChem CID164879825
Molecular FormulaC20H25F2N7O4
Molecular Weight465.46 g/mol
Exact Mass465.19
IUPAC Name1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate
SMILESCC1CC1(F)F.COCc1cc2c(Nc3cc(C4CC(OC(N)=O)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C16H19N7O4.C4H6F2/c1-25-7-9-4-12-15(18-2-3-23(12)22-9)19-14-6-11(20-21-14)13-5-10(8-26-13)27-16(17)24;1-3-2-4(3,5)6/h2-4,6,10,13H,5,7-8H2,1H3,(H2,17,24)(H2,18,19,20,21);3H,2H2,1H3
InChIKeyBSCRVDZOYZZKRJ-UHFFFAOYSA-N
XLogP2.93
TPSA141.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate?
The IUPAC name of 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate (CID 164879825) is 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate.
What is the SMILES notation for 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate?
The canonical SMILES for 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate is CC1CC1(F)F.COCc1cc2c(Nc3cc(C4CC(OC(N)=O)CO4)[nH]n3)nccn2n1.
What is the InChIKey of 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate?
The InChIKey is BSCRVDZOYZZKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O4.C4H6F2/c1-25-7-9-4-12-15(18-2-3-23(12)22-9)19-14-6-11(20-21-14)13-5-10(8-26-13)27-16(17)24;1-3-2-4(3,5)6/h2-4,6,10,13H,5,7-8H2,1H3,(H2,17,24)(H2,18,19,20,21);3H,2H2,1H3.
What are the key properties of 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate?
1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate has a molecular weight of 465.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate is sourced from PubChem (CID 164879825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).