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

C23H25N5O — CID 156844569

IUPACN-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N(C4CCNCC4)C4CC4)ccc2-3)c1
InChIInChI=1S/C23H25N5O/c1-10-25-27(13-1)19-4-5-20-16(14-19)15-29-23-21(20)6-7-22(26-23)28(17-2-3-17)18-8-11-24-12-9-18/h1,4-7,10,13-14,17-18,24H,2-3,8-9,11-12,15H2
InChIKeyRKMAEZUGZWDECX-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.55
Rot. Bonds4

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

N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844569) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844569
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(N(C4CCNCC4)C4CC4)ccc2-3)c1
InChIInChI=1S/C23H25N5O/c1-10-25-27(13-1)19-4-5-20-16(14-19)15-29-23-21(20)6-7-22(26-23)28(17-2-3-17)18-8-11-24-12-9-18/h1,4-7,10,13-14,17-18,24H,2-3,8-9,11-12,15H2
InChIKeyRKMAEZUGZWDECX-UHFFFAOYSA-N
XLogP3.55
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844569) is N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is c1cnn(-c2ccc3c(c2)COc2nc(N(C4CCNCC4)C4CC4)ccc2-3)c1.
What is the InChIKey of N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is RKMAEZUGZWDECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-10-25-27(13-1)19-4-5-20-16(14-19)15-29-23-21(20)6-7-22(26-23)28(17-2-3-17)18-8-11-24-12-9-18/h1,4-7,10,13-14,17-18,24H,2-3,8-9,11-12,15H2.
What are the key properties of N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 387.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).