(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C22H21ClN4O — CID 29217398

IUPAC(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESClc1ccc2c(c1)C=C(CN[C@H]1CCCc3c1cnn3-c1ccccn1)CO2
InChIInChI=1S/C22H21ClN4O/c23-17-7-8-21-16(11-17)10-15(14-28-21)12-25-19-4-3-5-20-18(19)13-26-27(20)22-6-1-2-9-24-22/h1-2,6-11,13,19,25H,3-5,12,14H2/t19-/m0/s1
InChIKeyJMOWOAZRDSKLMD-IBGZPJMESA-N
MW392.89 g/mol
LogP4.36
Rot. Bonds4

About (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 29217398) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID29217398
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESClc1ccc2c(c1)C=C(CN[C@H]1CCCc3c1cnn3-c1ccccn1)CO2
InChIInChI=1S/C22H21ClN4O/c23-17-7-8-21-16(11-17)10-15(14-28-21)12-25-19-4-3-5-20-18(19)13-26-27(20)22-6-1-2-9-24-22/h1-2,6-11,13,19,25H,3-5,12,14H2/t19-/m0/s1
InChIKeyJMOWOAZRDSKLMD-IBGZPJMESA-N
XLogP4.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 29217398) is (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is Clc1ccc2c(c1)C=C(CN[C@H]1CCCc3c1cnn3-c1ccccn1)CO2.
What is the InChIKey of (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is JMOWOAZRDSKLMD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-7-8-21-16(11-17)10-15(14-28-21)12-25-19-4-3-5-20-18(19)13-26-27(20)22-6-1-2-9-24-22/h1-2,6-11,13,19,25H,3-5,12,14H2/t19-/m0/s1.
What are the key properties of (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 392.89 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 29217398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).