ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate

C18H25N5O2 — CID 18447314

IUPACethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate
SMILESCCOC(=O)NN1C2CCC1CC(CNc1ccc3[nH]ncc3c1)C2
InChIInChI=1S/C18H25N5O2/c1-2-25-18(24)22-23-15-4-5-16(23)8-12(7-15)10-19-14-3-6-17-13(9-14)11-20-21-17/h3,6,9,11-12,15-16,19H,2,4-5,7-8,10H2,1H3,(H,20,21)(H,22,24)
InChIKeyYWCWVMIEFFEGRK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.88
Rot. Bonds5

About ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate

ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate (PubChem CID 18447314) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate
PubChem CID18447314
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nameethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate
SMILESCCOC(=O)NN1C2CCC1CC(CNc1ccc3[nH]ncc3c1)C2
InChIInChI=1S/C18H25N5O2/c1-2-25-18(24)22-23-15-4-5-16(23)8-12(7-15)10-19-14-3-6-17-13(9-14)11-20-21-17/h3,6,9,11-12,15-16,19H,2,4-5,7-8,10H2,1H3,(H,20,21)(H,22,24)
InChIKeyYWCWVMIEFFEGRK-UHFFFAOYSA-N
XLogP2.88
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate?
The IUPAC name of ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate (CID 18447314) is ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate.
What is the SMILES notation for ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate?
The canonical SMILES for ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate is CCOC(=O)NN1C2CCC1CC(CNc1ccc3[nH]ncc3c1)C2.
What is the InChIKey of ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate?
The InChIKey is YWCWVMIEFFEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-25-18(24)22-23-15-4-5-16(23)8-12(7-15)10-19-14-3-6-17-13(9-14)11-20-21-17/h3,6,9,11-12,15-16,19H,2,4-5,7-8,10H2,1H3,(H,20,21)(H,22,24).
What are the key properties of ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate?
ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(1H-indazol-5-ylamino)methyl]-8-azabicyclo[3.2.1]octan-8-yl]carbamate is sourced from PubChem (CID 18447314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).