3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine

C19H26FN5O2 — CID 134077968

IUPAC3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine
SMILESCn1cc(CN2CCOCC3(CC(CNc4ncccc4F)CO3)C2)cn1
InChIInChI=1S/C19H26FN5O2/c1-24-10-16(9-23-24)11-25-5-6-26-14-19(13-25)7-15(12-27-19)8-22-18-17(20)3-2-4-21-18/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,21,22)
InChIKeyYYHGBRFLLJVSMZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.67
Rot. Bonds5

About 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine

3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine (PubChem CID 134077968) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine
PubChem CID134077968
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine
SMILESCn1cc(CN2CCOCC3(CC(CNc4ncccc4F)CO3)C2)cn1
InChIInChI=1S/C19H26FN5O2/c1-24-10-16(9-23-24)11-25-5-6-26-14-19(13-25)7-15(12-27-19)8-22-18-17(20)3-2-4-21-18/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,21,22)
InChIKeyYYHGBRFLLJVSMZ-UHFFFAOYSA-N
XLogP1.67
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine (CID 134077968) is 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine is Cn1cc(CN2CCOCC3(CC(CNc4ncccc4F)CO3)C2)cn1.
What is the InChIKey of 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine?
The InChIKey is YYHGBRFLLJVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-24-10-16(9-23-24)11-25-5-6-26-14-19(13-25)7-15(12-27-19)8-22-18-17(20)3-2-4-21-18/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,21,22).
What are the key properties of 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine?
3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine has a molecular weight of 375.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[7-[(1-methylpyrazol-4-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 134077968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).