(2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

C23H20ClN5O — CID 23647431

IUPAC(2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3n[nH]c(Cl)c3c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H20ClN5O/c24-23-20-9-14(5-6-22(20)28-29-23)15-8-18(12-26-10-15)30-13-17(25)7-16-11-27-21-4-2-1-3-19(16)21/h1-6,8-12,17,27H,7,13,25H2,(H,28,29)/t17-/m0/s1
InChIKeyZWPLUYQDKWPRGX-KRWDZBQOSA-N
MW417.90 g/mol
LogP4.71
Rot. Bonds6

About (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

(2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 23647431) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID23647431
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name(2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3n[nH]c(Cl)c3c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H20ClN5O/c24-23-20-9-14(5-6-22(20)28-29-23)15-8-18(12-26-10-15)30-13-17(25)7-16-11-27-21-4-2-1-3-19(16)21/h1-6,8-12,17,27H,7,13,25H2,(H,28,29)/t17-/m0/s1
InChIKeyZWPLUYQDKWPRGX-KRWDZBQOSA-N
XLogP4.71
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 23647431) is (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is N[C@H](COc1cncc(-c2ccc3n[nH]c(Cl)c3c2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is ZWPLUYQDKWPRGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-23-20-9-14(5-6-22(20)28-29-23)15-8-18(12-26-10-15)30-13-17(25)7-16-11-27-21-4-2-1-3-19(16)21/h1-6,8-12,17,27H,7,13,25H2,(H,28,29)/t17-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 417.90 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-chloro-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 23647431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).