2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole

C25H23N5 — CID 150539181

IUPAC2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(-c4ccnc(-c5cn[nH]c5)c4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H23N5/c1-15(2)24-21-11-17(18-6-9-27-23(12-18)20-13-28-29-14-20)4-5-22(21)30-25(24)19-7-8-26-16(3)10-19/h4-15,30H,1-3H3,(H,28,29)
InChIKeyIFMWHQQFHAMFMP-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.11
Rot. Bonds4

About 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole

2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole (PubChem CID 150539181) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole
PubChem CID150539181
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(-c4ccnc(-c5cn[nH]c5)c4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H23N5/c1-15(2)24-21-11-17(18-6-9-27-23(12-18)20-13-28-29-14-20)4-5-22(21)30-25(24)19-7-8-26-16(3)10-19/h4-15,30H,1-3H3,(H,28,29)
InChIKeyIFMWHQQFHAMFMP-UHFFFAOYSA-N
XLogP6.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole (CID 150539181) is 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole is Cc1cc(-c2[nH]c3ccc(-c4ccnc(-c5cn[nH]c5)c4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole?
The InChIKey is IFMWHQQFHAMFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-15(2)24-21-11-17(18-6-9-27-23(12-18)20-13-28-29-14-20)4-5-22(21)30-25(24)19-7-8-26-16(3)10-19/h4-15,30H,1-3H3,(H,28,29).
What are the key properties of 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole?
2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole has a molecular weight of 393.49 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-[2-(1H-pyrazol-4-yl)-4-pyridinyl]-1H-indole is sourced from PubChem (CID 150539181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).