N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine

C20H17ClN6O — CID 59291151

IUPACN-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)NCC2
InChIInChI=1S/C20H17ClN6O/c1-28-18-8-12-5-6-22-15(12)9-16(18)25-20-23-11-14(21)19(26-20)13-10-24-27-7-3-2-4-17(13)27/h2-4,7-11,22H,5-6H2,1H3,(H,23,25,26)
InChIKeyXIRGLTPCPRPWEF-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.16
Rot. Bonds4

About N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine

N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine (PubChem CID 59291151) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine.

Molecular Properties

Compound NameN-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
PubChem CID59291151
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)NCC2
InChIInChI=1S/C20H17ClN6O/c1-28-18-8-12-5-6-22-15(12)9-16(18)25-20-23-11-14(21)19(26-20)13-10-24-27-7-3-2-4-17(13)27/h2-4,7-11,22H,5-6H2,1H3,(H,23,25,26)
InChIKeyXIRGLTPCPRPWEF-UHFFFAOYSA-N
XLogP4.16
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
The IUPAC name of N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine (CID 59291151) is N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine.
What is the SMILES notation for N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
The canonical SMILES for N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine is COc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)NCC2.
What is the InChIKey of N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
The InChIKey is XIRGLTPCPRPWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-28-18-8-12-5-6-22-15(12)9-16(18)25-20-23-11-14(21)19(26-20)13-10-24-27-7-3-2-4-17(13)27/h2-4,7-11,22H,5-6H2,1H3,(H,23,25,26).
What are the key properties of N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine has a molecular weight of 392.85 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine is sourced from PubChem (CID 59291151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).