2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine

C23H20N6 — CID 118959991

IUPAC2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(-c5cc(N)ccn5)cc34)cc2)cn1
InChIInChI=1S/C23H20N6/c1-29-14-18(13-26-29)16-4-2-15(3-5-16)10-23-20-11-17(6-7-21(20)27-28-23)22-12-19(24)8-9-25-22/h2-9,11-14H,10H2,1H3,(H2,24,25)(H,27,28)
InChIKeyUQRFZZAOVZWDSA-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.20
Rot. Bonds4

About 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine

2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine (PubChem CID 118959991) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
PubChem CID118959991
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(-c5cc(N)ccn5)cc34)cc2)cn1
InChIInChI=1S/C23H20N6/c1-29-14-18(13-26-29)16-4-2-15(3-5-16)10-23-20-11-17(6-7-21(20)27-28-23)22-12-19(24)8-9-25-22/h2-9,11-14H,10H2,1H3,(H2,24,25)(H,27,28)
InChIKeyUQRFZZAOVZWDSA-UHFFFAOYSA-N
XLogP4.20
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine?
The IUPAC name of 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine (CID 118959991) is 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine.
What is the SMILES notation for 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine?
The canonical SMILES for 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(-c5cc(N)ccn5)cc34)cc2)cn1.
What is the InChIKey of 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine?
The InChIKey is UQRFZZAOVZWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-29-14-18(13-26-29)16-4-2-15(3-5-16)10-23-20-11-17(6-7-21(20)27-28-23)22-12-19(24)8-9-25-22/h2-9,11-14H,10H2,1H3,(H2,24,25)(H,27,28).
What are the key properties of 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine?
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine is sourced from PubChem (CID 118959991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).