N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine

C27H34FN3O2 — CID 67219965

IUPACN-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine
SMILESCCN(CC1CC1)C(c1cnn2c(-c3c(C)cc(C)cc3OCF)cccc12)C1CCOC1
InChIInChI=1S/C27H34FN3O2/c1-4-30(15-20-8-9-20)27(21-10-11-32-16-21)22-14-29-31-23(22)6-5-7-24(31)26-19(3)12-18(2)13-25(26)33-17-28/h5-7,12-14,20-21,27H,4,8-11,15-17H2,1-3H3
InChIKeyCABNWLPMYFXQNT-UHFFFAOYSA-N
MW451.59 g/mol
LogP5.73
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine

N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine (PubChem CID 67219965) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine
PubChem CID67219965
Molecular FormulaC27H34FN3O2
Molecular Weight451.59 g/mol
Exact Mass451.26
IUPAC NameN-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine
SMILESCCN(CC1CC1)C(c1cnn2c(-c3c(C)cc(C)cc3OCF)cccc12)C1CCOC1
InChIInChI=1S/C27H34FN3O2/c1-4-30(15-20-8-9-20)27(21-10-11-32-16-21)22-14-29-31-23(22)6-5-7-24(31)26-19(3)12-18(2)13-25(26)33-17-28/h5-7,12-14,20-21,27H,4,8-11,15-17H2,1-3H3
InChIKeyCABNWLPMYFXQNT-UHFFFAOYSA-N
XLogP5.73
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine (CID 67219965) is N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine is CCN(CC1CC1)C(c1cnn2c(-c3c(C)cc(C)cc3OCF)cccc12)C1CCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is CABNWLPMYFXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c1-4-30(15-20-8-9-20)27(21-10-11-32-16-21)22-14-29-31-23(22)6-5-7-24(31)26-19(3)12-18(2)13-25(26)33-17-28/h5-7,12-14,20-21,27H,4,8-11,15-17H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine?
N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 451.59 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[7-[2-(fluoromethoxy)-4,6-dimethylphenyl]pyrazolo[1,5-a]pyridin-3-yl]-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 67219965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).