N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine

C22H21N7 — CID 142395543

IUPACN-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine
SMILESCCn1cc(-c2ccnc(Nc3ccc4c(c3)CNC4)n2)c(-c2cccnc2)n1
InChIInChI=1S/C22H21N7/c1-2-29-14-19(21(28-29)16-4-3-8-23-12-16)20-7-9-25-22(27-20)26-18-6-5-15-11-24-13-17(15)10-18/h3-10,12,14,24H,2,11,13H2,1H3,(H,25,26,27)
InChIKeyXTWDPAPOUYTAEO-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine

N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine (PubChem CID 142395543) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine
PubChem CID142395543
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC NameN-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine
SMILESCCn1cc(-c2ccnc(Nc3ccc4c(c3)CNC4)n2)c(-c2cccnc2)n1
InChIInChI=1S/C22H21N7/c1-2-29-14-19(21(28-29)16-4-3-8-23-12-16)20-7-9-25-22(27-20)26-18-6-5-15-11-24-13-17(15)10-18/h3-10,12,14,24H,2,11,13H2,1H3,(H,25,26,27)
InChIKeyXTWDPAPOUYTAEO-UHFFFAOYSA-N
XLogP3.77
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine?
The IUPAC name of N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine (CID 142395543) is N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine.
What is the SMILES notation for N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine?
The canonical SMILES for N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine is CCn1cc(-c2ccnc(Nc3ccc4c(c3)CNC4)n2)c(-c2cccnc2)n1.
What is the InChIKey of N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine?
The InChIKey is XTWDPAPOUYTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-2-29-14-19(21(28-29)16-4-3-8-23-12-16)20-7-9-25-22(27-20)26-18-6-5-15-11-24-13-17(15)10-18/h3-10,12,14,24H,2,11,13H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine?
N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine has a molecular weight of 383.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]-2,3-dihydro-1H-isoindol-5-amine is sourced from PubChem (CID 142395543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).