(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine

C22H23Cl2N7O — CID 174339032

IUPAC(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine
SMILESCN1CCC(n2cc(-c3n[nH]c4ccc(O[C@H](N)c5c(Cl)cncc5Cl)cc34)cn2)CC1
InChIInChI=1S/C22H23Cl2N7O/c1-30-6-4-14(5-7-30)31-12-13(9-27-31)21-16-8-15(2-3-19(16)28-29-21)32-22(25)20-17(23)10-26-11-18(20)24/h2-3,8-12,14,22H,4-7,25H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyKYHTVFVWBFCCSS-QFIPXVFZSA-N
MW472.38 g/mol
LogP4.43
Rot. Bonds5

About (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine

(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine (PubChem CID 174339032) has the molecular formula C22H23Cl2N7O and a molecular weight of 472.38 g/mol. Its IUPAC name is (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine.

Molecular Properties

Compound Name(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine
PubChem CID174339032
Molecular FormulaC22H23Cl2N7O
Molecular Weight472.38 g/mol
Exact Mass471.13
IUPAC Name(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine
SMILESCN1CCC(n2cc(-c3n[nH]c4ccc(O[C@H](N)c5c(Cl)cncc5Cl)cc34)cn2)CC1
InChIInChI=1S/C22H23Cl2N7O/c1-30-6-4-14(5-7-30)31-12-13(9-27-31)21-16-8-15(2-3-19(16)28-29-21)32-22(25)20-17(23)10-26-11-18(20)24/h2-3,8-12,14,22H,4-7,25H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyKYHTVFVWBFCCSS-QFIPXVFZSA-N
XLogP4.43
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
CID 171408846
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole
CID 167155810
(S)-(3,5-dichloro-4-pyridinyl)-[[3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazol-5-yl]oxy]methanamine
CID 167156024
4-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-2-[1-(1-methylpiperidin-4-yl)pyrazole-4-carboximidoyl]aniline
CID 167155955
4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide
CID 174339067
3-[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]-5-[1-(3,5-difluorophenyl)ethoxy]-1H-indazole
CID 174223277
(S)-(3,5-dichloro-4-pyridinyl)-[[3-[2-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-1H-indazol-5-yl]oxy]methanamine
CID 174338947
(S)-[3-[2-(1,4-diazepan-1-yl)pyrimidin-5-yl]-1H-indazol-5-yl]oxy-(3,5-dichloro-4-pyridinyl)methanamine
CID 167155774
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-(1-methylpiperidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-yl]-1H-indazole
CID 163364466
(S)-(3,5-dichloro-4-pyridinyl)-[[3-(1-ethylsulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)-1H-indazol-5-yl]oxy]methanamine
CID 167291083
ethyl 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 167156036
[4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]-ethoxymethanol
CID 174339507

Frequently Asked Questions

What is the IUPAC name of (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine?
The IUPAC name of (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine (CID 174339032) is (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine.
What is the SMILES notation for (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine?
The canonical SMILES for (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine is CN1CCC(n2cc(-c3n[nH]c4ccc(O[C@H](N)c5c(Cl)cncc5Cl)cc34)cn2)CC1.
What is the InChIKey of (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine?
The InChIKey is KYHTVFVWBFCCSS-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23Cl2N7O/c1-30-6-4-14(5-7-30)31-12-13(9-27-31)21-16-8-15(2-3-19(16)28-29-21)32-22(25)20-17(23)10-26-11-18(20)24/h2-3,8-12,14,22H,4-7,25H2,1H3,(H,28,29)/t22-/m0/s1.
What are the key properties of (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine?
(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine has a molecular weight of 472.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine is sourced from PubChem (CID 174339032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).