N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine

C22H23N5O — CID 156844611

IUPACN-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N4CCC(NC5CC5)C4)ccc2-3)c1
InChIInChI=1S/C22H23N5O/c1-9-23-27(10-1)18-4-5-19-15(12-18)14-28-22-20(19)6-7-21(25-22)26-11-8-17(13-26)24-16-2-3-16/h1,4-7,9-10,12,16-17,24H,2-3,8,11,13-14H2
InChIKeySUTRWEXSKONMJY-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.16
Rot. Bonds4

About N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine

N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine (PubChem CID 156844611) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine
PubChem CID156844611
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N4CCC(NC5CC5)C4)ccc2-3)c1
InChIInChI=1S/C22H23N5O/c1-9-23-27(10-1)18-4-5-19-15(12-18)14-28-22-20(19)6-7-21(25-22)26-11-8-17(13-26)24-16-2-3-16/h1,4-7,9-10,12,16-17,24H,2-3,8,11,13-14H2
InChIKeySUTRWEXSKONMJY-UHFFFAOYSA-N
XLogP3.16
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine (CID 156844611) is N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine is c1cnn(-c2ccc3c(c2)COc2nc(N4CCC(NC5CC5)C4)ccc2-3)c1.
What is the InChIKey of N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine?
The InChIKey is SUTRWEXSKONMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-9-23-27(10-1)18-4-5-19-15(12-18)14-28-22-20(19)6-7-21(25-22)26-11-8-17(13-26)24-16-2-3-16/h1,4-7,9-10,12,16-17,24H,2-3,8,11,13-14H2.
What are the key properties of N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine?
N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 156844611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).